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Home> Hot Product Listed 3   > 3-Methyl-1-butanol

3-Methyl-1-butanol

CAS No.:123-51-3
EINECS(EC#):204-633-5
Molecular Weight:88.15
Molecular Formula:C5H12O (Products with the same molecular formula)
MOL File:123-51-3.mol
Properties
Appearance
colourless liquid
Density
0.809
Melting Point
-117℃
Boiling Point
130℃
Vapour
4.16mmHg at 25°C
Refractive Index
1.405-1.407
Flash Point
43℃
Water
25 g/L (20℃)
Solubilities
Water Solubility :25 g/L (20 oC)
Color/Form
<20(APHA)
Stability
Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
HS Code
29335995
Storage temp
Flammables area
Spectral properties
INDEX OF REFRACTION: 1.4075 @ 20 DEG C/D
SADTLER REFERENCE NUMBER: 806 (IR, PRISM)
IR: 15289 (Sadtler Research Laboratories IR Grating Collection)
NMR: 7201 (Sadtler Research Laboratories Spectral Collection)
MASS: 3996 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
IR: 3:68F (Aldrich Library of Infrared Spectra, Aldrich Chemical Co, Milwaukee, WI)
NMR: 1:84A (Aldrich Library of Mass Spectra, Aldrich Chemical Co, Milwaukee, WI)
MASS: 50 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Safety and Handling
Hazard Codes
Xn:Harmful
Risk Statements
R10;R20/22
Safety Statements
S16
HazardClass
3
PackingGroup
II
Skin, Eye, and Respiratory Irritations
Very high vapor concentrations irritate eyes and upper respiratory tract.
A skin ... irritant
Cleanup Methods
1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quantities, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. ... Isoamyl alcohol should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion.
Transport
UN 1201/1105
Fire Fighting Procedures
Use water, powder, "alcohol" foam or carbon tetrachloride. Water spray is effective for cooling fire-exposed containers, dispersing spills before burning, and protection from heat those persons engaged to stop leakage during the fire.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide or dry chemical.
Fire Potential
MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT VIGOROUSLY WITH REDUCING MATERIALS.
Formulations/Preparations
MAJOR COMPONENT OF COMMERCIAL AMYL ALCOHOL, FUSEL OIL & POTATO-SPIRIT OIL.
GRADE: TECHNICAL
FUSEL OIL
DOT Emergency Guidelines
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Pentanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Pentanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Pentanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Pentanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Pentanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane or nitroethane. Large fires: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Pentanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces. /Pentanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Pentanols/
Exposure Standards and Regulations
Isoamyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.
Reactivities and Incompatibilities
Strong oxidizers.
Interaction /of pentanol and hydrogen trisulfide/ is explosively violent. /Pentanol/
Other Preventative Measures
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Use water spray to disperse vapors and dilute standing pools of liquid.
Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.
Clothing wet with liquid isoamyl alcohol should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of isoamyl alcohol from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the isoamyl alcohol, the person performing the operation should be informed of isoamyl alcohol's hazardous properties.
Protective Equipment and Clothing
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Recommendations for respirator selection. Max concn for use: 500 ppm. Respirator Class(es): Any supplied-air respirator operated in a continuous flow mode. Eye protection needed. Any chemical cartridge respirator with a full facepiece and organic vapor cartridge(s). Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any powered, air-purifying respirator with organic vapor cartridge(s). Eye protection needed. Any self-contained breathing apparatus with a full facepiece. Any supplied-air respirator with a full facepiece.
Recommendations for respirator selection. Condition: Emergency or planned entry into unknown concn or IDLH conditions: Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive pressure mode. Any supplied-air respirator with a full facepiece and operated in pressure-demand or other positive pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any self-contained breathing apparatus with a full facepiece.
Specification

The IUPAC name of?1-Butanol, 3-methyl- is?3-methylbutan-1-ol. With the?CAS registry number 123-51-3,?it is also named as 2-Methyl-4-butanol.?The classification codes are?Human Data;?Skin / Eye Irritant;?Tumor data.1-Butanol, 3-methyl- (CAS NO.123-51-3) is a colorless oily liquid which?is moderately toxic and flammable.?It is flammable by fire, heat and oxidants and?it will produce?irritative?smoke, so it should be stored in cool and dry environment.?Additionally, it is soluble in alcohol and ether, and slightly soluble in water.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110.18; (8)ACD/KOC (pH 7.4): 110.18; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 26.7 cm3; (14)Molar Volume: 108.9 cm3; (15)Polarizability: 10.58×10-24 cm3; (16)Surface Tension: 25.6 dyne/cm; (17)Enthalpy of Vaporization: 42.97 kJ/mol; (18)Vapour Pressure: 4.16 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 88.088815; (21)MonoIsotopic Mass: 88.088815; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 6; (24)Complexity: 25.1.

Uses of 1-Butanol, 3-methyl-: It is not only used for chromatography and extraction agent, but also?used in the pharmaceutical industry and?for the manufacture of perfume, medicine and the flotation reagent. Besides,?this chemical?is?used as a solvent and reagents for chemical analysis. Furthermore, it is used for the production of plasticizers and?photographic material.

Preparation of1-Butanol, 3-methyl-:?There are two kinds of production methods. 1. It is derived from the fractional distillation of fusel oil.?Fusel oil is?the byproduct?from the production process of alcohol or liquor,?including isoamyl alcohol, ethanol, propanol, isobutyl alcohol, etc.
2.?The mixed alcohol is generated by chlorination and hydrolysis of Pentane, then the product is obtained by fractionation.

When you are using this chemical, please be cautious about it as the following:
It is flammable?and harmful by inhalation and if swallowed.?If swallowed, seek medical advice immediately and show this container or label.?And it is also irritating to respiratory system. Additionally, repeated exposure may cause skin dryness or cracking.?Dry powder, foam, sand, carbon dioxide, water mist, 1211 fire extinguishing agent can be used if something urgent happened. Keep away from sources of ignition.?

People can use the following data to convert to the molecule structure.
1. SMILES:OCCC(C)C
2.?InChI:InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 210mg/kg (210mg/kg) ? Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
human TCLo inhalation 150ppm (150ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943.
mouse LD50 intravenous 234mg/kg (234mg/kg) ? Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse LDLo intraperitoneal 233mg/kg (233mg/kg) ? Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
mouse LDLo subcutaneous 7480mg/kg (7480mg/kg) ? Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
rabbit LD50 oral 3438mg/kg (3438mg/kg) SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

CARDIAC: PULSE RATE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin 3970uL/kg (3.97mL/kg) ? American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rabbit LDLo intravenous 1570mg/kg (1570mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
rat LD50 oral 1300mg/kg (1300mg/kg) LIVER: FATTY LIVER DEGERATION

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BLOOD: OTHER CHANGES
South African Medical Journal. Vol. 43, Pg. 795, 1969.
rat LDLo intraperitoneal 813mg/kg (813mg/kg) ? Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 132, Pg. 214, 1928.

Octanol/Water Partition Coefficient
log Kow= 1.16
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent.
1. By absorbing it in vermiculite, dry sand, earth or a similar material and disposing in a secured sanitary landfill. 2. By atomizing in a suitable combustion chamber.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100PLUS view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2016
Chemoxy International Limited 2013
Oxiteno Europe OR2 2014
more >
MSDS

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name isoamylol

1.2 Other means of identification

Product number -
Other names 3-Methyl-1-butanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H315 Causes skin irritation

H318 Causes serious eye damage

H332 Harmful if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
isoamylol isoamylol 123-51-3 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give nothing to drink. Do NOT induce vomiting. Refer immediately for medical attention.

4.2 Most important symptoms/effects, acute and delayed

Very high vapor concentrations irritate eyes and upper respiratory tract. Continued contact with skin may cause irritation. (USCG, 1999)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Minimum/Potential Fatal Human Dose

NEAR BORDERLINE BETWEEN TOXICITY CLASSES 3 & 4. 4=VERY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 50-500 MG/KG, BETWEEN 1 TEASPOON & 1 OZ FOR 70 KG PERSON (150 LB). 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5.0 G/KG, BETWEEN 1 OZ & 1 PINT (OR 1 LB) ... .

Absorption, Distribution and Excretion

3-Methyl-1-butanol, following serial (four 15-minute intervals) ip injections in the rat, is very rapidly metabolized ... . Only 1-1.5% of the administered doses of 3-methyl-1-butanol were excreted in the expired air plus urine as the pentanol. The blood concentration of 3-methyl-1-butanol decreased from 37 mg/100 ml at 1 hr (ie, 15 min after the last pentanol injection) to <1 mg/100 ml at 5 hr. In the rabbit, limited amounts of 3-methyl-1-butanol and the other primary pentanols are conjugated to yield the glucuronide, and 7-10% of the administered dose is excreted as the urinary glucuronide.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water, powder, "alcohol" foam or carbon tetrachloride. Water spray is effective for cooling fire-exposed containers, dispersing spills before burning, and protection from heat those persons engaged to stop leakage during the fire.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: protective clothing, safety goggles and filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable non-plastic containers as far as possible. Absorb liquid in sand or inert absorbent. Wash away remainder with plenty of water.

6.3 Methods and materials for containment and cleaning up

1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quantities, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. ... Isoamyl alcohol should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Fireproof. Separated from strong oxidants and reducing agents.IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED ... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 100 ppm (360 mg/cu m).

Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 125 ppm (450 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state colourless liquid
Colour OILY, CLEAR LIQ
Odour CHARACTERISTIC, DISAGREEABLE ODOR
Melting point/ freezing point 49\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 130\u00b0C(lit.)
Flammability Class II Combustible Liquid: Fl.P. at or above 37.78\u00b0C and below 60\u00b0C.Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.2% by volume; Upper flammable limit: 9.0% (at 212 deg F) by volume
Flash point 43\u00b0C
Auto-ignition temperature 340\u00b0C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 3.738 cP @ 25\u00b0C
Solubility In water:25 g/L (20 \u00baC)
Partition coefficient n-octanol/water (log value) log Kow= 1.16
Vapour pressure 2 mm Hg ( 20 \u00b0C)
Density and/or relative density 0.809g/mLat 25\u00b0C(lit.)
Relative vapour density 3 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT VIGOROUSLY WITH REDUCING MATERIALS.ISOAMYL ALCOHOL attacks plastics [Handling Chemicals Safely, 1980. p. 236]. Mixtures with concentrated sulfuric acid and strong hydrogen peroxide may cause explosions. Mixing with hypochlorous acid in water or water/carbon tetrachloride solution can generate isoamyl hypochlorites, which may explode, particularly on exposure to sunlight or heat. Mixing with chlorine would also yield isoamyl hypochlorites [NFPA 491 M, 1991]. Base-catalysed reactions with isocyanates can occur with explosive violence [Wischmeyer,1969].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizers.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 1,300 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

Isopentanol is readily biodegraded in aerobic screening tests using sewage or activated sludge inocula(1-5). In one screening study utilizing a sewage seed, 75% and 100% of the isopentanol degraded within 4.5 and 6 days, respectively(1). In another, the half-life of isopentanol was 2.4 days(2). Five day BOD values ranged from 49% to 77% of theoretical(3-5). In a semi-continuous activated sludge treatment plant simulation, a 47% BOD reduction was achieved in 8 hr(3). The half-lives of isopentanol in ground water, Lester River, MN river water and Lake Superior harbor water were 15, 11, and 6.1 days, respectively(6). Isopentanol was >75% mineralized when incubated for 8 weeks in an anaerobic reactor using a 10% sludge inoculum from a secondary digester(7). The mean removal rate of isopentanol from a semi-pilot scale anaerobic lagoon was 32% in 20 days(8).

12.3 Bioaccumulative potential

The BCF for isopentanol estimated from isopentanol's octanol/water partition coefficient, log 1.42(1), using a recommended regression equation is 7(2). Such a low BCF would indicate that isopentanol would not bioconcentrate in aquatic organisms(SRC).

12.4 Mobility in soil

The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1105 IMDG: UN1105 IATA: UN1105

14.2 UN Proper Shipping Name

ADR/RID: PENTANOLS
IMDG: PENTANOLS
IATA: PENTANOLS

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
isoamylol isoamylol 123-51-3 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:88.14818 [g/mol]
Molecular Formula:C5H12O
XLogP3:1.2
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:88.088815
MonoIsotopic Mass:88.088815
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Formal Charge:0
Complexity:25.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:3

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