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Home> Encyclopedia > Hot Product Listed 4   > 4-Methyl-2-pentanone
108-10-1 structure

4-Methyl-2-pentanone

Iupac Name:4-methylpentan-2-one
CAS No.:108-10-1
EINECS(EC#): 203-550-1
Molecular Weight:100.161
Molecular Formula:C6H12O (isomer)
Names and Identifiers
Synonyms

128154-EP2269986A1 128154-EP2295423A1 26733-EP2269986A1 26733-EP2270009A1 26733-EP2272822A1 26733-EP2272827A1 26733-EP2274983A1 26733-EP2275407A1 26733-EP2280009A1 26733-EP2281812A1 26733-EP2281821A1 26733-EP2287154A1 26733-EP2289868A1 26733-EP2292597A1 26733-EP2295423A1 26733-EP2295430A2 26733-EP2295431A2 26733-EP2295438A1 26733-EP2298755A1 26733-EP2298763A1 26733-EP2299326A1 26733-EP2301924A1 26733-EP2302003A1 26733-EP2305254A1 26733-EP2305649A1 26733-EP2305650A1 26733-EP2308838A1 26733-EP2308857A1 26733-EP2309584A1 26733-EP2314577A1 26733-EP2314583A1 26733-EP2371797A1 26733-EP2371798A1 26733-EP2371800A1 26733-EP2371804A1 26733-EP2377845A1 26733-EP2380568A1 26733-EP2380873A1 28326-EP2314577A1 2-methyl-4-oxopentane 2-methyl-4-pentanal 2-methyl-4-pentanone 2-methylpropyl methyl ketone 2-pentanone, 4-methyl- 2-pentanone,4-methyl- 2-pentanone,4-methyl methyl,isobutyl,ketone 4-methyl- 2-pentanone 4-methyl-2-oxopentane 4-methyl-2-pentanon 4-methyl-2-pentanon [czech] 4-methyl-2pentanone 4-methyl-2-pentanone (mibk) 100 ng/microl in methanol 4-methyl-2-pentanone (natural) 4-methyl-2-pentanone, >=99%, fcc 4-methyl-2-pentanone, acs reagent, >=98.5% 4-methyl-2-pentanone, acs, 98.5% min. 500ml 4-methyl-2-pentanone, ar, >=99% 4-methyl-2-pentanone, for hplc, >=99.5% 4-methyl-2-pentanone, hplc grade 4-methyl-2-pentanone, jis special grade, >=99.5% 4-methyl-2-pentanone, puriss. p.a., acs reagent, >=99.0% (gc) 4-methyl-2-pentanone, suitable for atomic absorption spectrometry, >=99.5% 4-methyl-2-pentanone, technical grade, 95% 4-methyl-pentan-2-on [dutch, german] 4-methyl-pentan-2-on(dutch, german) 4-methyl-pentan-2-one 4-methylpentan-2-one 4-methylpentane-2-one 4-metilpentan-2-one 4-metilpentan-2-one [italian] 5792-EP2270114A1 5792-EP2280005A1 5792-EP2289884A1 5792-EP2289897A1 5792-EP2292624A1 5792-EP2314558A1 7726-EP2272848A1 7726-EP2275423A1 7726-EP2289897A1 7726-EP2371797A1 78042-EP2272846A1 78042-EP2275422A1 78042-EP2277868A1 78042-EP2277869A1 78042-EP2277870A1 78042-EP2292608A1 78042-EP2298076A1 78042-EP2298077A1 78042-EP2301353A1 78042-EP2305031A1 78042-EP2305033A1 78042-EP2305034A1 78042-EP2305035A1 78042-EP2308866A1 78042-EP2374791A1 A801806 AC1L1PTX AC1Q1P3V ai3-01229 AKOS000118793 AN-42853 ANW-15892 BP-13453 brn 0605399 C19263 cas-108-10-1 caswell no. 574aa ccris 2052 certified reference material chebi:82344 CHEMBL285323 CJ-05088 CJ-23645 D04989 dsstox_gsid_21889 dsstox_rid_76387 DTXSID5021889 einecs 203-550-1 epa pesticide chemical code 044105 ethyl iso-butyl ketone F1908-0087 fema no. 2731 fema number 2731 hexon hexon [czech] hexone hsdb 148 I14-4094 i-bucome isobutyl methyl ketone isobutyl-methylketon isobutyl-methylketon [czech] isobutylmethylketone iso-butylmethylketone iso-c4h9coch3 isohexanone isopropyl acetone isopropylacetone JSP000704 ketone, isobutyl methyl KS-00000WQF LMFA12000033 LS-453 M0389 methy isobutyl ketone methyl i-butyl ketone Methyl isobuty ketone methyl isobutyl keton methyl isobutyl ketone methyl iso-butyl ketone methyl isobutyl ketone (nf) methyl isobutyl ketone [un1245] [flammable liquid] methyl isobutyl ketone [usan] methyl isobutyl ketone reagent grade acs methyl isobutyl ketone, pharmaceutical secondary standard methyl isobutylketone methyl iso-butylketone methyl-2-pentanon,4- methylisobutlyketone methylisobutyketone methylisobutyl keton methylisobutyl ketone methyl-isobutyl ketone methyl-isobutyl-cetone methyl-isobutyl-cetone [french] methylisobutylketon methyl-iso-butylketon methylisobutyl-keton methylisobutylketon [dutch, german] methylisobutylketon(dutch, german) methylisobutylketone methyl-isobutylketone methyl-iso-butylketone metilisobutilchetone metilisobutilchetone [italian] metyloizobutyloketon metyloizobutyloketon [polish] mfcd00008938 mibk mie mik MOLPORT-001-789-273 NCGC00091475-01 NCGC00091475-02 NCGC00258660-01 nsc 5712 nsc5712 nsc-5712 NTIZESTWPVYFNL-UHFFFAOYSA-N Q-200495 rcra waste no. u161 rcra waste number u161 RTR-001906 SBB060384 SC-65434 SCHEMBL13341539 SCHEMBL15458 shell mibk ST51046575 tox21_201108 TR-001906 TRA0072750 U5T7B88CNP un 1245 un1245 wln: 1y1 & 1v1 ZINC1482107

Inchi
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChkey
NTIZESTWPVYFNL-UHFFFAOYSA-N
Canonical Smiles
CC(C)CC(=O)C
Properties
Appearance
Clear liquid
Density
0.7978
Melting Point
-84℃
Boiling Point
-120.5° F (NTP, 1992)
Vapour
18.2mmHg at 25°C
Refractive Index
1.395-1.397
Flash Point
73° F (NTP, 1992)
Solubility
Soluble
Color/Form
Colorless liquid
Other physical and chemical properties
METHYL ISOBUTYL KETONE; is a clear colorless liquid with a pleasant odor. Flash point 73°F. Less dense than water;. Vapors heavier than air.
Stability
STABLE LIQUID
HS Code
2914130000
Storage temp
2-8°C
Spectral properties
SADTLER REF NUMBER: 23 (IR, GRATING)
Index of refraction: 1.3692 at 20 deg C/D
IR: 44 (Sadtler Research Laboratories Prism Collection)
UV: 21 (Sadtler Research Laboratories Prism Collection)
Raman: 987 (Sadtler Research Laboratories Prism Collection)
1H NMR: 139 (Varian Associates NMR Spectra Catalogue)
13C NMR: 139 (Varian Associates NMR spectra collectoin)
MASS: 53587 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
Safety and Handling
Hazard Codes
F
Risk Statements
R11;R20;R36/37;R66
Safety Statements
S16;S29;S9
HazardClass
3
Safety
Hazard Codes:F,Xn,T
Risk Statements:11-20-36/37-66-39/23/24/25-23/24/25
11:Highly Flammable
20:Harmful by inhalation
36/37:Irritating to eyes and respiratory system
66:Repeated exposure may cause skin dryness or cracking
39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
23/24/25:Toxic by inhalation, in contact with skin and if swallowed
Safety Statements:9-16-29-45-36/37-7
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
29:Do not empty into drains
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
7:Keep container tightly closed
RIDADR:UN 1245 3/PG 2
WGK Germany:1
HazardClass:3
PackingGroup:II
Hazardous Substances Data:108-10-1(Hazardous Substances Data)
Toxicity
Vapor causes irritation of eyes and nose; high concentrations cause anesthesia and depression. Liquid dries out skin and may cause dermatitis; irritates eyes but does not injure them.
PackingGroup
II
Skin, Eye, and Respiratory Irritations
The MIBK odor was objectionable and the vapor was irritating to the eyes at 200 ppm.
... /AT 100 PPM/ METHYL ISOBUTYL KETONE MAY IRRITATE EYES OF MORE SENSITIVE PERSON.
Contact or the Vapor can irritate the eyes, nose, mouth, and throat. Contact can irritate the skin.
Irritation of the eyes, skin, and respiratory tract, ... .
Cleanup Methods
Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Establish forced ventilation to keep levels below explosive limit. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or similar material and deposit in sealed containers. Oil-skimming equipment and sorbent foams can be applied to slick if done immediately. Keep this chemical out of a confined space ... because of the possibility of an explosion ... It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.
Transport
UN 1245
Fire Fighting Procedures
... Water should not be used, since this may cause the fire to spread, though a water spray can be used to cool containers.
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, dry chemical or carbon dioxide.
Flammable. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. Wear goggles and self-contained breathing apparatus. Extinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water.
Fire Potential
Flammable liquid when exposed to heat, flame, or oxidizers.
Formulations/Preparations
Grade: Technical, 98.5%.
/The NF grade/ ... contains not less than 99% of methyl isobutyl ketone.
MIBK IS FREQUENTLY BLENDED WITH METHYL ETHYL KETONE IN HIGH SOLIDS LACQUERS
4-Methyl-2-pentanone is available with a purity of >99%.
DOT Emergency Guidelines
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ 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 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.
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ 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.
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ 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.
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ 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. Large fires: Water spray, fog or alcohol-resistant foam. Use water spray or fog; 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.
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ 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.
/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ 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. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adherencing to skin. Keep victim warm and quiet. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
Exposure Standards and Regulations
Methyl isobutyl ketone 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: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
Methyl isobutyl ketone is an indirect food additive for use only as a component of adhesives.
Reactivities and Incompatibilities
Able to form unstable and explosive peroxides on contact with air. Reacts violently with strong oxidizers, potassium tert-butoxide, strong acids, aliphatic amines, reducing agents.
Ignites on contact with potassium-t-butoxide ... May form explosive peroxides upon exposure to air. Can react vigorously with reducing material.
4-Methyl-2-pentanone had not been considered prone to autoxidation, but an explosion during prolonged and repeated aerobic hot evaporation of the solvent was attributed to formation and explosion of a peroxide.
Other Preventative Measures
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.
Work practices and industrial hygiene techniques should minimize the volatilization of ketones in the workroom air in order to ensure that the exposure limits are not exceeded. /Ketones/
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.
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. Attempt to stop leak if without undue personnel hazard. Use water spray to disperse vapors and dilute standing pools of liquid.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard (i.e., for liquids with a flash point
Protective Equipment and Clothing
Ventilation, local exhaust, or breathing protection. Protective gloves. Protective clothing. Safety spectacles.
... Safety equipment suppliers/manufacturers can provide recommendations on the most protective glove/clothing materials ... Teflon and Styrene-Butadiene Rubber are among the recommended protective materials. ...
Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles.
Breakthrough times less (usually significantly less) than one hour reported by (normally) two or more testers for natural rubber. Breakthrough times greater than one hour reported by (normally two or more testers for polyvinyl alcohol (PVA). No data for butyl rubber, neoprene (Neop), nitrile rubber, nitrile rubber/polyvinyl chloride, polyethylene (PE), chlorinated polyethylene (CPE), polyurethane (PU), polyvinyl chloride (PVC), styrene-butadiene rubber (SBR), and viton.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Respirator Recommendations: Up to 500 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 10 Any chemical cartridge respirator with organic vapor cartridge(s). Substance reported to cause eye irritation or damage; may require eye protection. APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. APF = 50 Any powered, air-purifying respirator with a tight-fitting facepiece and organic vapor cartridge(s). Substance reported to cause eye irritation or damage; may require eye protection. APF = 10 Any supplied-air respirator. Substance reported to cause eye irritation or damage; may require eye protection. APF = 50 Any self-contained breathing apparatus with a full facepiece.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 10,000 Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. APF = 10,000 Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister/Any appropriate escape-type, self-contained breathing apparatus.
Specification

clear liquid
Safety Statements:9-16-29-45-36/37-7
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
29:Do not empty into drains
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
7:Keep container tightly closed
Octanol/Water Partition Coefficient
log Kow = 1.31
Disposal Methods
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U161 and F003, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids. A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for liquid injection incineration at a temperature range of 650 to 1,600 deg C and a residence time of 0.1 to 2 seconds.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Eye irritation, Category 2

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

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H319 Causes serious eye irritation

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.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

Precursor and Product
Computational chemical data
  • Molecular Weight:100.161g/mol
  • Molecular Formula:C6H12O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:100.089
  • Monoisotopic Mass:100.089
  • Complexity:64.6
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQSAgAACAAAAAAAI AIAQAAAAAAAAAAAAAAEAAAAAABIAAAAAAAAAAAAAAAAAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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