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Butanol(CAS No. 35296-72-1)

Butanol C4H10O (cas 35296-72-1) Molecular Structure

35296-72-1 Structure

Identification and Related Records

【Name】
Butanol
【CAS Registry number】
35296-72-1
【Synonyms】
Butanol【general】
【EINECS(EC#)】
225-201-2
【Molecular Formula】
C4H10O (Products with the same molecular formula)
【Molecular Weight】
74.1216
【Inchi】
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
【Canonical SMILES】
CCCCO
【MOL File】
35296-72-1.mol

Chemical and Physical Properties

【Density】
0.805 g/cm3
【Melting Point】
-89.8 deg C
【Boiling Point】
117.7 oC at 760 mmHg
【Flash Point】
35 oC
【Solubilities】
In water, 6.32X10+4 mg/l @ 25 deg C
Miscible with many organic solvents
Very soluble in acetone; miscible with ethanol and ethyl ether
> 10% in benzene
【Color/Form】
Colorless liquid
【Spectral properties】
Index of refraction: 1.3993 @ 20 deg C/D
Specific rotation: +9.8 at 20 deg C/D (water)
IR: 4807 (Coblentz Society Spectral Collection)
1H NMR: SAD 7200 (Sadtler Research Laboratories Spectral Collection)
13C NMR: STOT 140 (Stothers, Cabon-13 NMR Spectroscopy, Academic Press, New York)
MS: NIST 19177 (NIST/EPA/MCDC Mass Spectral Database 1990 version); NBS 23 (National Bureau of Standards)
Raman: SAD 180 (Sadtler Research Laboratories Spectral Collection)
【Computed Properties】
Molecular Weight:74.1216 [g/mol]
Molecular Formula:C4H10O
XLogP3:0.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:74.073165
MonoIsotopic Mass:74.073165
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Formal Charge:0
Complexity:13.1
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:8

Safety and Handling

【Safety Statements 】
S13;S26;S37/39
【Skin, Eye, and Respiratory Irritations】
May cause irritation of mucous membranes.
Vapor: Irritating to eyes, nose and throat; ... Liquid: Irritating to skin and eyes.
It is a strong irritant of the mucous membranes, eyes, skin & respiratory tract.
【Cleanup Methods】
1. REMOVE ALL IGNITION SOURCES. 2. VENTILATE AREA OF SPILL OR LEAK. 3. FOR SMALL QUANTITIES ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ALLOW SUFFICIENT TIME FOR EVAPORATING VAPORS TO ... CLEAR HOOD DUCTWORK. BURN PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS.
Waste water treatment: Activated carbon: adsorbability: 0.107 g/g C, 53.4% reduction, influent: 1,000 mg/l, effl: 466 mg/l; reverse osmosis: 41.3% rejection from a 0.01 M soln; stabilization pond design: toxicity correction factor: 2.0 at 4,000 mg/l influent; anaerobic lagoon: 22 lb Chemical Oxygen Demand (COD)/day/1,000 cu ft: influent: 170 mg/l, effluent: 75 mg/l; 48 lb COD/day/1,000 cu ft: influent: 170 mg/l, effluent: 80 mg/l
【Fire Fighting Procedures】
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.
【Fire Potential】
FLAMMABLE LIQUID. MODERATELY EXPLOSIVE WHEN EXPOSED TO FLAME.
【Formulations/Preparations】
GRADE OR PURITY: 99+%
ACS reagent grade
【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. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Butanols/
/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. /Butanols/
/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. /Butanols/
/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. /Butanols/
/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. /Butanols/
/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. /Butanols/
/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. /Butanols/
/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. /Butanols/
【Exposure Standards and Regulations】
n-Butyl alcohol (without residue) may be used in inks for marking food supplements in tablet form, gum, and confectionery.
【Reactivities and Incompatibilities】
WHEN METHANOL ... USED TO RINSE A PESTLE & MORTAR WHICH HAD BEEN USED TO GRIND COARSE CHROMIUM TRIOXIDE, IMMEDIATE IGNITION OCCURRED, DUE TO VIGOROUS OXIDATION OF SOLVENT. THE SAME OCCURRED WITH ... BUTANOL.
Butanol, used as a solvent in an autoclave preparation at 100 deg C, severely attacked the aluminum gasket, liberating hydrogen which caused a sharp rise in pressure. Other alcohols would behave similarly ... .
Contact with strong oxidizers may cause fire and explosion.
Strong oxidizers, strong mineral acids, alkali metals, halogens.
【Other Preventative Measures】
Contact lenses should not be worn when working with this chemical.
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.
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.
Employees should wash promptly when skin is wet or contaminated. Remove clothing immediately if wet or contaminated to avoid flammability hazard.
Respirators may be used when engineering and work practice controls are not technically feasible, when such controls are in the process of being installed, or when they fail and need to be supplemented. Respirators may also be used for operations which require entry into tanks or closed vessels, and in emergency situations. ... Clothing wet with liquid butyl alcohol should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of butyl alcohol from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the butyl alcohol, the person performing the operation should be informed of butyl alcohol's hazardous properties. Any clothing which becomes wet with liquid butyl alcohol should be removed immediately and not reworn until the butyl alcohol is removed from the clothing.
If material /is/ 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.
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.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Employees who handle liquid isobutyl alcohol should wash their hands before eating or smoking. /Isobutyl alcohol/
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.
【Protective Equipment and Clothing】
Employees should be provided with and required to use impervious clothing, gloves, face shields (eight-inch minimum), and other appropriate protective clothing necessary to prevent repeated or prolonged skin contact with liquid butyl alcohol.
Breakthough times are less (usually significantly less) than one hour as reported by two or more testers, for natural rubber.
For neoprene, nitrile rubber, and polyvinyl chloride (PVC), the breakthrough times are greater than one hr as reported by two or more testers.
Wear appropriate chemical protective gloves, boots and goggles.
If the use of respirators is necessary, the only respirators permitted are those that have been approved by the Mine Safety and Health Administration (formerly Mining Enforcement and Safety Administration), or by the National Institute for Occupational Safety and Health.
Some data (usually from immersion tests) suggesting breakthrough times greater than one hour are not likely for polyvinyl alcohol (PVA). No data for butyl rubber (butyl), neoprene/styrene butadiene rubber(neo./SBR), polyethylene (PE), chlorinated polyethylene (CPE), polyethane (PU), styrene-butadiene (SBR) and viton.
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: 1250 ppm. Respirator Class(es): Any supplied-air respirator operated in a continuous flow mode. Eye protection needed. Any powered, air-purifying respirator with organic vapor cartridge(s). Eye protection needed.
Recommendations for respirator selection. Max concn for use: 1400 ppm. Respirator Class(es): 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 a tight-fitting facepiece and 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 that has a full facepiece and is operated in a 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 appropriate escape-type, self-contained breathing apparatus.
【Specification】

?Butanol (CAS NO.35296-72-1)or butyl alcohol can refer to any of the four isomeric alcohols of formula C4H9OH: n-Butanol ; Isobutanol ; sec-Butanol ; tert-Butanol . It?may be used as a fuel in an internal combustion engine.?It is more similar to gasoline than it is to ethanol and has been demonstrated to work in some vehicles designed for use with gasoline without any modification.?
?Butanol from biomass is called biobutanol?and can be used in unmodified gasoline engines . Its better tolerates water contamination and is less corrosive than ethanol and more suitable for distribution through existing pipelines for gasoline.?As an advantage, butanol production from biomass could be more efficient than ethanol or methanol routes.?Currently no production vehicle is known to be approved by the manufacturer for use with 100% butanol.

【Octanol/Water Partition Coefficient】
log Kow= 0.88
【Disposal Methods】
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U031; F003, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Incineration, landfill: Incinerate by atomizing into a suitable combustion chamber. Bury adsorbed waste in an approved landfill.
1. ABSORBING IN VERMICULITE, DRY SAND, EARTH OR SIMILAR MATERIAL & DISPOSING IN SECURED SANITARY LANDFILL. 2. ATOMIZING IN SUITABLE COMBUSTION CHAMBER.
Good candidate for liquid injection incineration, with a temperature range of 650 to 1600 deg C, and a residence time of 0.1 to 2 seconds. Also, a good candidate for rotary kiln incineration, with a temperature range of 820 to 1600 deg C, and a residence time of seconds. Additionally, a good candidate for fluidized bed incineration, with a temperature range of 450 to 980 deg C, and a residence time of seconds. /From table/
n-Butyl alcohol is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. /From table/

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

The prinicipal commercial source of 1-butanol is n-butraldehyde, obtained from the oxo reaction of propylene, followed by hydrogenation in the presence of a catalyst. ... produced from ethanol via successive dehydrogenation to acetaldehyde, followed by an aldol process.
... OBTAINED BY FERMENTATION OF GLYCEROL, MANNITE, STARCHES, & SUGARS IN GENERAL, USING BACILLUS BUTYLICUS SOMETIMES SYNERGIZED BY PRESENCE OF CLOSTRIDIUM ACETOBUTYRICUM, SYNTHETICALLY, FROM ACETYLENE.
... manufacture from ethylene oxide and triethylaluminum ... manufacture by carbohydrate fermentation, by hydrogenation of butyraldehyde, from crotonaldehyde.
Ethyl alcohol may be converted directly to 1-butanol at 325 deg C and 13 MPa (128 atm) over magnesium oxide/copper oxide. A mixture of butanol, hexyl and octyl alcohols, acetaldehyde, butyraldehyde, and crontonaldehyde is obtained when ethanol and hydrogen are passed over magnesium oxide at 200 deg C and 10 MPa (99 atm). Butyl bromide can be hydrolyzed at 130-180 deg C at 350-700 kPa (3.5-6.9 atm) to give a mixture of butanol and dibutyl ether; the dibutyl ether can be converted to 81% butanol by heating with 48% aq hydrobromic acid in an autoclave at 150 deg C. An 82% yield of 1-butanol can be obtained from a low temp reduction of n-butyraldehyde with sodium borohydride. At 200-300 deg C and 10 MPa (99 atm), furan has been reduced in the presence of copper chromite-barium chromite catalyst to butanol in 70% yields.
... Ethylmagnesium chloride undergoes reaction with two equivalents of ethylene oxide to yield both n-butyl alcohol (80% yield) and ethylene chlorohydrin (70% yield) ... .
U.S. Exports

(1972) 2.68X10+10 G
(1975) 2.99X10+10 G
(1984) 1.83X10+10 g
(1987) 1.77X10+7 lb
(1988) 1.13X10+7 lb
Annual average exports for 1994-1998 were 286 million lb
U.S. Imports

(1972) NEGLIGIBLE
(1975) 1.48X10+10 G
(1984) 4.69X10+8 g
(1986) 1.71X10+5 lb /Butyl alcohol, NSPF/
(1998) 25 million lb
U.S. Production

(1972) 2.68X10+11 G
(1975) 2.22X10+11 G
(1984) 4.12X10+11 g
(1986) 8.57X10+8 lb
(1987) 1.15X10+9 lb
(1992) 1.26 billion lb
(1993) 1.33 billion lb
Consumption Patterns

20% AS A SOLVENT FOR SURFACE COATINGS; 14% FOR SYNTHESIS OF GLYCOL ETHERS (INCL ETHYLENE GLYCOL MONOBUTYL ETHER); 12% FOR PLASTICIZERS (INCL DIBUTYL PHTHALATE); 20% FOR N-BUTYL ACETATE; 10% EXPORTED; 7% FOR SYNTHESIS OF N-BUTYL ACRYLATE; 15% FOR MISC APPLCNS (INCL SYNTHESIS OF BUTYLAMINES AND 2,4-D ESTERS) (1972)
30% FOR BUTYL ACRYLATES AND METHACRYLATE; 23% FOR GLYCOL ETHERS; 12.5% FOR BUTYL ACETATE; 12.5% FOR SOLVENT; 8% FOR PLASTICIZERS; 5% FOR AMINO RESINS; 1% FOR AMINES; 1% MISCELLANEOUS; 7% FOR EXPORTS (1984)
CHEMICAL PROFILE: n-Butanol. Butylacrylate and methacrylate, 28%; glycol ethers, 20%; solvent use, 12%; butyl acetate, 10%; plasticizers, 6%; amino resins, 3%; amines, 1%; miscellaneous, 2%; exports, 18%.
CHEMICAL PROFILE: n-Butanol. Demand: 1986: 1,000 million lb; 1987: 1,100 million lb; 1991 /projected/: 1,150 million lb (Includes exports; imports are negligible).
Demand: (1998) 1.8 billion lb; (1999) 1.85 billion lb; (2000) 2 billion lb
【Sampling Procedures】
... Sampling ... may be performed by collection of n-butyl alcohol vapors using an adsorption tube.
A SIMPLIFIED QUANTITATIVE METHOD IS DESCRIBED FOR COLLECTION OF ORGANIC POLLUTANTS IN AIR ON A POROUS POLYMER TRAP.
NIOSH 1401: Analyte: n-butyl alcohol; Matrix: air; Sampler: solid sorbent tube (coconut shell charcoal, 100 mg/50 mg); Flow rate: 0.01 to 0.2 l/min; Vol: min: 1 l, max: 10 l; Stability: unknown; store in freezer /Alcohols II, n-butyl alcohol/

Biomedical Effects and Toxicity

【Therapeutic Uses】
MEDICATION (VET): BACTERICIDE USED IN TREATMENT OF FROTHY BLOAT.
... n-Butyl alcohol has been admin to patients for the control of postoperative pain in otolaryngeal surgery and for an unexplained anti-hemorrhagic effect ... in those with far advanced cancer.
A saturated aq soln has been given intravenously to many patients in vol up to 300 ml per day for reducing postoperative pain, for ocular conditions in 68 patients, without note of any untoward effect on the eyes or central nervous system.
【Biomedical Effects and Toxicity】
BUTANOL IS ABSORBED THROUGH THE LUNG, THE GI TRACT AND SKIN.
TWELVE SUBJECTS WERE EXPOSED TO 300 OR 600 MG/CU M OF N-BUTYL ALCOHOL IN INSPIRED AIR DURING REST AND DURING EXERCISE ON A BICYCLE ERGOMETER. EXPOSURE LASTED 2 HR. THE ARTERIAL BLOOD CONCENTRATION WAS LOW. THE CONCENTRATION IN THE LAST PART OF THE EXPIRED AIR, IE, THE ALVEOLAR CONCENTRATION, WAS LOW. THE QUOTIENT OF ALVEOLAR CONCENTRATION WAS LOW IN RELATION TO THE LOW PERCENTAGE UPTAKE. THE HIGH SOLUBILITY OF BUTYL ALCOHOL IN WATER MAY EXPLAIN THE RESULTS. [ASTRAND I ET AL; SCAND J WORK ENVIRON HEALTH 2 (3): 165-75 (1976)] PubMed Abstract
Volunteers exposed to n-butanol for 2 hr at air concn of 100 and 200 ppm developed blood concn that never exceeded 1.0 mg/l, whether at rest or during excercise. Exposure to an air concn of 50 ppm for 2 hr resulted in blood levels less than 0.08 mg/l.
In rats, n-butanol is extensively metabolized; within 24 hr of a single oral dose, 83% had been converted to carbon dioxide, 4% excreted in the urine and 12% remained in the body.
Urine was analyzed immediately, 1, 2, 8, and 9 hr after drinking (during 2 hr) 3.75 ml/kg of beverages containing orange juice, 15 or 40% ethanol, and and 1 g/l of 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutyl alcohol or a mixture of 1-propanol & isobutyl alcohol. Maximum urine levels /in mg/l/ were found 1 hr after drinking ended: 1-propanol 5.04, 2-propanol 3.36, 1-butanol 0.43, 2-butanol 2.55, isobutyl alcohol ... 1.7-2.03 mg/l. Urine treatment with beta-glucuronidase before analysis indicated that significant amounts of the alcohols were excreted as glucuronides, esp isobutyl alcohol. 2-Propanol and 2-butanol were the slowest to be metabolized. When mixtures of alcohols were given, the concentrations of isobutyl alcohol glucuronides were high with the mixtures containing 5 and 15% ethanol, and decreased at 40% ethanol.
1-Butanol is readily absorbed through the lungs, skin, and intestinal tract. Once absorbed, 1-butanol disappears rapidly from the blood and is distributed to various tissues with no evidence of bioaccumulation.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 72(SRC), determined from a log Kow of 0.88(2) and a regression-derived equation(3), indicates that n-butyl alcohol is expected to have high mobility in soil(SRC). Volatilization of n-butyl alcohol from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 8.8X10-6 atm-cu m/mole(4). The potential for volatilization of n-butyl alcohol from dry soil surfaces may exist based upon a vapor pressure of 7 mm Hg(5). The biodegradation half-life of n-butyl alcohol in a sub-surface soil from Blacksburg, VA was approximately 7 days(6).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 72(SRC), determined from a log Kow of 0.88(2) and a regression-derived equation(3), indicates that n-butyl alcohol is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected to be an important fate process(3) based upon a Henry's Law constant of 8.8X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 and 29, days respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low. In a river die-away test, n-butyl alcohol achieved 33% of its theoretical BOD in 5 days(7), suggesting biodegradation will be an important fate process in water(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-butyl alcohol, which has a vapor pressure of 7 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-butyl alcohol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC). The half-life for the reaction in air with hydroxyl radicals is estimated to be 46 hours(SRC), calculated from its rate constant of 8.3X10-12 cu cm/molecule-sec at 25 deg C(3).

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