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Home > Encyclopedia > Isoamyl alcohol

Isoamyl alcohol

Isoamyl alcohol structure

Isoamyl alcohol 

structure
  • CAS No:

    123-51-3

  • Formula:

    C5H12O

  • Chemical Name:

    Isoamyl alcohol

  • Synonyms:

    1-Butanol,3-methyl-;Isopentyl alcohol;3-Methyl-1-butanol;Isoamyl alcohol;Isoamylol;Isopentanol;2-Methyl-4-butanol;Isobutyl carbinol;iso-Amyl alcohol;iso-Pentanol;3-Methylbutyl alcohol;NSC 1029;NSC 7905;3-Methylbutane-1-ol

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Colorless liquid with a disagreeable odor.


Isoamyl alcohol is a colorless liquid with a mild, choking alcohol odor. Less dense than water, soluble in water. Hence floats on water. Produces an irritating vapor. (USCG, 1999)|Liquid; PelletsLargeCrystals|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|Colourless to pale yellow liquid|Colorless liquid with a disagreeable odor.


Isoamyl alcohol is a colorless liquid with a mild, choking alcohol odor. Less dense than water, soluble in water. Hence floats on water. Produces an irritating vapor. (USCG, 1999)|Isoamylol is an primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. It has a role as a xenobiotic metabolite, a Saccharomyces cerevisiae metabolite and an antifungal agent. It is a primary alcohol, a volatile organic compound and an alkyl alcohol. It derives from a hydride of an isopentane.

Isoamyl alcohol Basic Attributes

88.15

88.15

1718835

204-633-5

DEM9NIT1J4

0798

7905|1029

1105|1201

DTXSID3025469

OILY, CLEAR LIQ|Colorless liquid.

29335995

Characteristics

20.2

1.28

<20(APHA) Liquid

0.813 g/cm3 @ Temp: 15 °C

-117.2 °C

132.5 °C

109.4 °F

1.405

H2O: 25 g/L (20 ºC)

Flammables area

2 mm Hg ( 20 °C)

3 (vs air)

Oral-Rat  LD50: 1300 mg/kg; Abdominal cavity-mouse LD50: 233 mg/kg

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

1.2-9%, 100°F

CHARACTERISTIC, DISAGREEABLE ODOR

PUNGENT, REPULSIVE TASTE

1.31e-11 cm3/molecule*sec

1.41e-05 atm-m3/mole|Henry's Law constant = 1.41X10-5 atm-cu m/mol|Henry's Law constant = 1.41X10-5 atm-cu m/mol.

Standard heat of formation = -85.18 kcal/mol @ 25 °C|Heat Capacity = 50.5 cal/deg K-mol @ 25 °C

Highly flammable. Water soluble.

Alcohols and Polyols

Highly Flammable

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].

Isoamyl alcohol|B: Compounds that form peroxides on concentration (distillation/evaporation)|48 samples had 0->1000 ppm peroxide; age 0.5-30 yrs (isoamyl alcohol); 2 samples had 100 ppm peroxide; age > 1 yr (isopentyl alcohol) ; 7 samples had 10-30 ppm peroxide; age > 1 yr (3-Methyl-1-butanol alcohol)|Kelly|See Bretherick's for discussions regarding the peroxide-forming abilities of primary alcohols and the potential contributions to incidents.|Mirafzal, G. A. et al., J. Chem. Educ., 1988, 65(9), A226–229

662 °F (USCG, 1999)|662 °F|340 °C

-794.98 kcal/ mole @ constant pressure

Lower flammable limit: 1.2% by volume; Upper flammable limit: 9.0% (at 212 °F) by volume|Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

13.3 kcal/mole @ constant pressure

Critical temperature = 307 deg K

Safety Information

II

3

UN 1105 3/PG 3

1

10-20-37-66-20/22-R20/22-R10

46-16-S16

EL5425000

Xn

Treasury is ventilated, low temperature and dry; stored separately from oxidant

Explosive when mixed with air

Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.

P210-P261-P280-P304 + P340 + P312-P337 + P313-P403 + P235

H226-H315-H319-H332-H335

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.

Strong oxidizers.|Interaction /of pentanol and hydrogen trisulfide/ is explosively violent. /Pentanol/

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.

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)|Flammable. Above 42 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree

|Danger|H226 (99.36%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2637 companies from 41 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225 (84.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1748 companies from 33 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P330, P370+P378, P403+P233, P403+P235, P405, and P501|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P307+P311, P312, P321, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. 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. (ERG, 2016)

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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 SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Skin: Wear appropriate personal protective clothing to prevent skin contact. Eyes: Wear appropriate eye protection to prevent eye contact. Wash skin: The worker should immediately wash the skin when it becomes contaminated. Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|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.|(See protection codes)

MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT VIGOROUSLY WITH REDUCING MATERIALS.

EXPLOSION HAZARD: SLIGHT, WHEN EXPOSED TO FLAME.|Explosive limits , vol% in air: 1.2-10.5 (at 100 °C)

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.

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.

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.|For more Preventive Measures (Complete) data for ISOAMYL ALCOHOL (7 total), please visit the HSDB record page.

/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/|For more DOT Emergency Guidelines (Complete) data for ISOAMYL ALCOHOL (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Very high vapor concentrations irritate eyes and upper respiratory tract.|A skin ... irritant

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 100 ppm (360 mg/cu m).|Vacated 1989 OSHA PEL TWA 100 ppm (360 mg/cu m); STEL 125 ppm (450 mg/cu m) is still enforced in some states.

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).

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.

Fireproof. Separated from strong oxidants and reducing agents.

A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.

The substance is severely irritating to the eyes. The substance is irritating to the respiratory tract. The substance is mildly irritating to the skin. Ingestion could cause effects on the central nervous system. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis.

The substance defats the skin, which may cause dryness or cracking.

NO open flames, NO sparks and NO smoking. Above 42 °C use a closed system, ventilation and explosion-proof electrical equipment.

Use ventilation, local exhaust or breathing protection.

Protective gloves. Protective clothing.

Wear safety spectacles, face shield or eye protection in combination with breathing protection.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

In an analysis of 455 wastewater samples from 35 industrial categories, isopentanol was only identified in 1 sample from the synfuels industry(2). In a comprehensive survey of wastewater from 4000 industrial and publicly owned treatment works (POTWs) sponsored by the Effluent Guidelines Division of the U.S. EPA, isopentanol was identified in discharges of the following industrial category (positive occurrences, median concn in ppb): synfuels (7; 39.8), publicly owned treatment works (1; 176.7). The highest effluent concn was in a publically-owned treatment works at 177 ppb(3). The mean and range of isopentanol emissions from four whiskey fermentation vats was 0.166 and 0.141-0.183 g per cu m of grain input, respectively(1). The maximum concn of isopentanol in the vat gas was about 9 mg/cu m and occurred 40 hr into the process(1).

INDOOR AIR: In a 1985-1986 study of VOC's in the air of 500 West German homes, the mean and range of isopentanol concns were 1 and <1.0 to 10 ug/cu m, respectively(1).

The average concn of isopentanol in fusel oil, a by-product of alcoholic fermentation of starches and sugars is 60-65%(1). The concn of isopentanol in the volatile fraction of fresh poultry manure was 0.398 ppm(2). The concn of isopentanol was 4.01 ppm and not detectable in manure samples that had been incubated for 9 and 28 days, respectively, at 27-28 °C under nearly anaerobic conditions(2). In a study in which 29 samples of printer's inks from different European manufacturers were analyzed, isopentanol was found in only one sample at a concn of 0.3%(3).

Toxicity

moderately toxic

The purpose of this study was to investigate whether isopentanol, the most abundant hiqher chain alcohol in alcoholic beverages, contributes to induction of different forms of hepatic p450s associated with consumption of these beverages. Induction of p450 by isopentanol alone and in combination with ethanol in cultured chick and rat hepatocytes. The forms of induced p450 were identified both enzymaticaly and immunochemically. In cultured chick hepatocytes, both isopentanol and ethanol induced p450 2E, but combined treatment with these alcohols had no greater effect than treatment with ethanol alone. In cultured rat hepatocytes, isopentanol alone did not induce p450 2E or 2B1/2 and had no effect on the ethanol mediated induction of p450 2E. However, isopentanol combined with ethanol caused a synergistic induction of p450 2B1/2 in cultered rat hepatocytes and an additive to synergistic induction of p450 2H1/2 in cultered chick hepatocytes.

LD50 Rat oral 1,300 mg/kg|LD50 Rabbit skin 3,970 mg/kg|LD50 Rat (90-120 g) oral 65.0 mmol/kg (7.07 ml/kg). /From table/|LD50 Rabbit oral 3.4 g/kg

Persons with pre-existing skin disorders may be more susceptible to the effects of this agent. ... In persons with impaired pulmonary function, expecially those with obstructive airway diseases, the breathing of isoamyl alcohol might cause exacerbation of symptoms due to its irritant properties.

Isopentanol is a plant volatile(2-6) and is also emitted from animal wastes(2,7) and by microorganisms(2). Isopentanol is the principal component of fusel oil, a by-product of alcoholic fermentation of starches and sugars(1).|CONSTITUTES MAJOR PORTION OF FUSEL OIL; ALSO KNOWN AS FERMENTATION AMYL ALCOHOL. ... IDENTIFIED AS ESTER AMONG CONSTITUENTS OF ROMAN CAMOMILE OIL, & IN SEVERAL ESSENTIAL OILS ... ALSO IN AROMAS OF STRAWBERRY & RASPBERRY; IDENTIFIED IN RUM.

Isopentanol may be released to the environment during its manufacture, transport, disposal and use as a solvent, extracting agent, additive, photographic chemical, chemical intermediate in the production of herbicides and pharmaceuticals, and in the synthesis of flavors and fragrances(1,4). It is also a fermentation product of sugars and starches and may be released during fermentation(2-3). Isopentanol is also released during petroleum manufacture and storage and from wood pulping(3).

TERRESTRIAL FATE: In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 °C(1), moderate Henry's Law constant, 1.41X10-5 atm-cu m/mol(2), and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC). It is highly mobile in soil and should leach. Isopentanol is readily biodegraded in screening tests as well as in water grab sample tests and therefore would be expected to biodegrade in soil. (SRC)|AQUATIC FATE: If released in water, isopentanol will be lost by volatilization. The volatilization half-life of isopentanol from a model river estimated from its Henry's Law constant, 1.41X10-5 atm-cu m/mol(1), is 2.55 days(2). It should also biodegrade. The half-life of isopentanol in groundwater, river water and Lake Superior harbor water in Minnesota were 15, 11, and 6.1 days, respectively(3). Isopentanol would not be expected to adsorb to sediment or bioconcentrate in aquatic organisms.|ATMOSPHERIC FATE: Isopentanol will react with photochemically-produced hydroxyl radicals in the atmosphere. The rate constant estimated for this reaction is 7.8X10-12 cu cm/molec-sec(1). Assuming a hydroxyl radical concn of 5X10+5 radicals/cu cm, the half-life of isopentanol in the atmosphere will be 2.0 days(SRC).

Isopentanol reacts with photochemically-produced hydroxyl radicals in the atmosphere with an estimated rate constant of 7.8X10-12 cu cm/molec-sec(1). Assuming a hydroxyl radical concn of 5X10+5 radicals/cu cm, the half-life of isopentanol in the atmosphere will be 2.0 days(SRC). Isopentanol exhibits moderate photochemical reactivity in smog chamber tests(2).

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).

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).

The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 °C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).

Isopentanol has been identified in drinking water(1). No concns were reported.

Isopentanol has been identified, but not quantified, in peanut oil(1), blue cheese(2) and a cheese made in the French Alps(3), filberts(4), beer(5), wine(7), meat(8-9), chickpeas(10), oranges(11), bananas(12), Concord grapes(13), and nectarines(6). Eighty proof whiskey contained 154.4 mg/L of isopentanol(14).

Workers may be exposed to isopentanol via inhalation and dermal contact. The general public is exposed to isopentanol in a variety of foods, including fruit, nuts, and meat, and in indoor air. (SRC)

In a study in which the exhaled breaths of 26 smokers and 43 non-smokers were analyzed, 16% of the breaths of non-smokers and 77% of that of smokers contained isopentanol(1). In an earlier study of components of expired air of 8 male volunteers, three of the eight contained isopentanol and were expired at 2.6, 0.002, and 0.11 ug/hr(2). Two of these subjects were smokers(2). The isopentanol was believed to be of metabolic origin(2). As part of EPA's National Human Adipose Tissue Survey, 46 composite adipose fat samples were analyzed. Eighty-three percent of these samples contained isopentanol ranging from 1.51 to 14.82 ppm(3).

Drug Information

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) ... .

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.

... OXIDIZED BY WAY OF CORRESPONDING ALDEHYDES & FATTY ACIDS ... MAIN SITE OF PRIMARY OXIDATION APPEARS TO BE LIVER ... GLUCURONIC CONJUGATION TAKES PLACE TO EXTENT OF 9% ... ISOLATED IN URINE OF RABBITS.|... Small amounts of ... 3-methyl-1-butanol /are/ excreted in the air or urine following ip injections of 1 g/kg to rats: Percent excreted: 0.97 expired air; 0.27 urine; and 1.24 total. /From table/

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

Eye: If this chemical contacts the eyes, immediately wash the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Contact lenses should not be worn when working with this chemical. Skin: If this chemical contacts the skin, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly. If irritation persists after washing, get medical attention. Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform mouth-to-mouth resuscitation. Keep the affected person warm and at rest. Get medical attention as soon as possible. Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)|(See procedures)


Fresh air, rest. Refer for medical attention.


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


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

Symptoms: Irritation of eyes, mucous membranes and nausea, vomiting, headache and dizziness; faintness and fatal by long-time exposure to high concentration.|Short-term Exposure: ... Double vision, deafness, delerium, and death may occur. Coma, sugar in the urine, and blood changes have also been reported.|The ingestion of 50-100 ml of isoamyl alcohol in humans resulted in weakness, pain, burning sensation in the chest and stomach, nausea, headache; CNS depression and sleep within 10-15 min; terminal coma, and death within 1 hr to 6 days due to asphyxiation.|The exposure of human skin to 3-methyl-1-butanol for 5 min induced erythema in 100% of the 12 human subjects over the subsequent 60 min.|For more Human Toxicity Excerpts (Complete) data for ISOAMYL ALCOHOL (6 total), please visit the HSDB record page.

3-methyl-1-butanol

The substance can be absorbed into the body by inhalation and by ingestion.|inhalation, ingestion, skin and/or eye contact

irritation eyes, skin, nose, throat; headache, dizziness; cough, dyspnea (breathing difficulty), nausea, vomiting, diarrhea; skin cracking; In Animals: narcosis


Sore throat. Cough. Burning sensation.


Dry skin. Redness.


Redness. Pain.

Eyes, skin, respiratory system, central nervous system

Isoamyl alcohol Use and Manufacturing

Methods of Manufacturing

Derived from fusel oil fractionation. It is obtained by chlorinating and hydrolyzing pentane to produce mixed alcohol, which is then fractionated.

Uses

Solvent for fats, resins, alkaloids, etc.; manufacture of isoamyl (amyl) Compounds, isovaleric acid, mercury fulminate, pyroxylin, artificial silk, lacquers, smokeless powders; in microscopy; for dehydrating celloidin solutions; for determining fat in milk.


Solids separation agents

Production

100,000 - 500,000 lb|(1962) 5.5-6.8X10+9 GRAMS (ALL AMYL ALCOHOLS)

MAJOR COMPONENT OF COMMERCIAL AMYL ALCOHOL, FUSEL OIL & POTATO-SPIRIT OIL.|GRADE: TECHNICAL|FUSEL OIL

Food, beverage, and tobacco product manufacturing|1-Butanol, 3-methyl-: ACTIVE

/DETERMINATION OF/ HIGHER ALC ... ISOAMYL ALC ... IN BEVERAGES: DISTILLED LIQUORS, GAS CHROMATOGRAPHIC METHOD.|GAS-LIQUID CHROMATOGRAPHIC (GLC) SYSTEM, COLUMN PACKED WITH GLYCEROL-1,2,6-HEXANETRIOL ON GAS-CHROM R & FLAME IONIZATION DETECTOR, ISOAMYL ALC WAS SEPARATED & QUANT MEASURED.|ALC QUANT ACETYLATED IN APPROX 5 MIN @ ROOM TEMP WITH AC2O IN PRESENCE OF N-METHYLIMIDAZOLE. GAS CHROMATOGRAPHY CONDITIONS ARE DESCRIBED FOR SEPARATION & DETECTION OF ACETYLATED PRODUCTS.|NIOSH Method No. 1402 Alcohols III Issue 2/15/84. Limit of detection 0.01 mg per sample, working range ca. 15 to 150 mg/cu m.|ASTM Method No. D4490. Standard Practice for Measuring the Concentration of Toxic Gases or Vapors Using Detector Tubes. Detection limit 25 ppm

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]|Fire Hazards -> Flammable - 2nd degree|Cosmetics -> Solvent

Flavoring Agents

Computed Properties

Molecular Weight:88.15
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:88.088815002
Monoisotopic Mass:88.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:25.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Price Analysis

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  • Data: 2026-07-16
  • Price: 20000.00Yuan/ton
  • Change: 0

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