| Identification | More | [Name]
Amyl acetate | [CAS]
628-63-7 | [Synonyms]
1-PENTYL ACETATE
ACETIC ACID N-AMYL ESTER
ACETIC ACID PENTYL ESTER
AMYL ACETATE
AMYL ACETATE PRIMARY
N-AMYL ACETATE
N-PENTYL ACETATE
PEAR OIL
PENTANYL ACETATE
PENTYL ACETATE
1-Acetoxypentane
1-Pentanol acetate
1-pentanol,acetate
1-pentanolacetate
Acetate d'amyle
acetated’amyle
acetated’amyle(french)
acetated’amylenormal
Acetic acid, amyl ester
Acetic acid, n-pentyl ester | [EINECS(EC#)]
211-047-3 | [Molecular Formula]
C7H14O2 | [MDL Number]
MFCD00009500 | [Molecular Weight]
130.18 | [MOL File]
628-63-7.mol |
| Chemical Properties | Back Directory | [Appearance]
All isomers of amyl acetate are highly flammable,
colorless to yellow, watery liquids. | [Melting point ]
−100 °C(lit.) | [Boiling point ]
142-149 °C(lit.) | [density ]
0.876 g/mL at 25 °C(lit.)
| [vapor density ]
4.5 (vs air)
| [vapor pressure ]
4 mm Hg ( 20 °C)
| [refractive index ]
n20/D 1.402(lit.)
| [Fp ]
75 °F
| [storage temp. ]
Flammables area | [solubility ]
10g/l | [form ]
Powder | [color ]
White | [Odor]
Pleasant banana-like; mild; characteristic banana- or pear-like odor. | [explosive limit]
1.1-7.5%(V) | [Odor Type]
fruity | [Water Solubility ]
10 g/L (20 ºC) | [FreezingPoint ]
-70.8℃ | [BRN ]
1744753 | [Henry's Law Constant]
10.73 at 37 °C (static headspace-GC, Bylaite et al., 2004) | [Dielectric constant]
5.0（20℃） | [Exposure limits]
TLV-TWA 100 ppm (～525 mg/m3) (ACGIH,
MSHA, and OSHA); IDLH 4000 ppm. | [LogP]
2.300 | [Uses]
A colorless liquid made by adding sulfuric acid to a mixture
of amyl alcohol and acetic acid with subsequent recovery
by distillation. It is slightly soluble in water but insoluble
in alcohol. Amyl acetate was used as one of the solvents
in making celluloid film and as fuel for the Alteneck lamp,
adopted as the standard light in sensitometry by the International
Congress of Photography in 1889. | [CAS DataBase Reference]
628-63-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Acetic acid, pentyl ester(628-63-7) | [EPA Substance Registry System]
628-63-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R66:Repeated exposure may cause skin dryness or cracking. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S25:Avoid contact with eyes .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 1104 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
AJ1925000
| [F ]
21 | [Autoignition Temperature]
680 °F &_& 714 °F | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29153930 | [Safety Profile]
Moderately toxic by
intraperitoneal route. Human systemic
effects by inhalation: conjunctiva irritation,
headache, and somnolence. A human eye
irritant. Apparently more toxic than butyl
acetate. Chronic toxicity is of a low order.
Dangerous fire hazard when exposed to heat
or flame; can react with oxidizing materials.
Moderately explosive in the form of vapor
when exposed to flame. To fight fire, use
alcohol foam, dry chemical. When heated to
decomposition it emits acrid smoke and
irritating fumes. See also ESTERS, AMYL
ALCOHOL, and ACETIC ACID. | [Hazardous Substances Data]
628-63-7(Hazardous Substances Data) | [Toxicity]
Acute oral LD50 for rats 6,500 mg/kg (quoted, RTECS, 1985). | [IDLA]
1,000 ppm |
| Hazard Information | Back Directory | [General Description]
A mixture of isomers. A clear colorless liquid with a banana-like odor. Flash point varies from 65°F. to 95°F. Less dense (at 7.2 lb/gal) than water and slightly soluble in water. Hence floats on water. Vapors heavier than air. | [Reactivity Profile]
AMYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids . | [Air & Water Reactions]
Highly flammable. Slightly soluble in water. | [Hazard]
Flammable, high fire risk. Explosive limits
in air 1.1–7.5%.
| [Health Hazard]
Irritation of eyes, nose and throat. Dizziness, nausea, headache. | [Potential Exposure]
(n-isomer): Primary irritant (w/o allergic
reaction), (sec-isomer) Human Data. Amyl acetates are
used as industrial solvents and in the manufacturing and
dry-cleaning industry; making artificial fruit-flavoring
agents; cements, coated papers, lacquers; in medications
as an inflammatory agent; pet repellents, insecticides and
miticide. Many other uses. | [Fire Hazard]
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. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. | [First aid]
If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts the
skin, remove contaminated clothing and wash immediately
with soap and water. Seek medical attention immediately.
If this chemical has been inhaled, remove from exposure,
begin rescue breathing (using universal precautions, including
resuscitation mask) if breathing has stopped and CPR if
heart action has stopped. Transfer promptly to a medical
facility. When this chemical has been swallowed, get medical
attention. Give large quantities of water and induce
vomiting. Do not make an unconscious person vomit. | [Shipping]
UN1993 Flammable liquids, n.o.s., Hazard
Class: 3; Labels: 3-Flammable liquid, Technical Name
Required. | [Incompatibilities]
Vapors may form explosive mixture with
air. Incompatible with oxidizers (chlorates, nitrates, peroxides,
permanganates, perchlorates, chlorine, bromine, fluorine,
etc.); contact may cause fires or explosions. Keep
away from alkaline materials, strong bases, strong acids,
oxoacids, epoxides, nitrates. May soften certain plastics. | [Description]
All isomers of amyl acetate are highly flammable, colorless to yellow, watery liquids. The n- and isoisomers have a persistent, fruity, banana-like or pear-likeodor. The sec-isomer has a mild fruity odor. Molecularweight of isomers 5 130.21. Hazard Identification (basedon NFPA-704 M Rating System): (sec-isomer) Health 2,Flammability 3, Reactivity 0.n-isomer: Boiling point= 121℃; Melting/Freezingpoint=2 72℃; Specific gravity= 0.876 at 20℃; Liquidsurface tension= 5 0.012 N/m at 30℃; Liquid water interfacial tension 5 (estimate) 0.05 N/m at 17℃; Relative vapordensity (air= 1) 5 4.5; Ratio of specific heats of vapor(gas) 5 1.1; Latent heat of vaporization= 3.1 3 105 J/kg;Heat of combustion 5 2 310.8 3 105 J/kg; Vaporpressure= 0.93 kPa at 20℃; Flash point= 16°21℃, 25℃(cc); Autoignition temperature= 360℃; Explosive limits:LEL 5 1.0%; UEL 5 7.5%; Odorthreshold 5 0.0075°7.3 ppm.sec-isomer: Boiling point= 121℃; Melting/Freezingpoint=2 148℃; Critical temperature= 326℃; Criticalpressure= 411.6 psia 5 28.0 atm 5 2.83 MN/m2; Specificgravity= 0.861°0.866 at 20℃; Liquid surface tension 5 28.9 dynes/cm 5 0.0289 N/m at 20℃; Liquidwater interfacial tension 5 (estimate) 0.0441 N/m at20℃; Relative vapor density (air= 1) 5 4.5; Ratio of specific heats of vapor (gas) 5 (estimate).1°1.1 at 20℃;Latent heat of vaporization= (estimate) 5 3.0 3 105 J/kg;Heat of combustion 5 2 14.402 Btu/lb 5 2 8000cal/g 5 2 334.9 3 105 J/kg; Vapor pressure= 7 mmHg at20℃; Flash point= 32℃; Explosive limits: LEL 5 1.1%;UEL 5 7.0%; Odor threshold 5 0.002 ppm.tert-isomer: Boiling point= 125℃; Flash point= 26℃;Explosive limits: LEL 5 1.0%; UEL 5 7.5%; Odor threshold 5 0.08 *0.0006 in water.iso-isomer: Boiling point= 142℃; Melting/Freezingpoint=2 78.5℃; Critical temperature 326.1℃; Criticalpressure= 2.84 MN/m2; Specific gravity= 0.876 at 15℃;Liquid surface tension= 5 0.02477 N/m at 20℃; Liquid waterinterfacial tension5 0.0502 N/m at 15℃; Relative vapor density (air= 1) 5 4.5; Ratio of specific heats of vapor (gas) 5(estimate).1°1.1; Latent heat of vaporization= (estimate) 53.07 3 105 J/kg; Heat of combustion 5 2 334.9 3 105 J/kg;Vapor pressure= 4 mmHg at 20℃; Autoignitiontemperature5 379℃; Flash point= 25℃; Autoignitiontemperature5 379℃; Explosive limits: LEL5 1.2% at 100℃;UEL 5 7.5%; Odor threshold 5 0.015.They all float on water and have poor (slight to negligible)solubility. Water contact forms a flammable, irritatingvapor. Hazard Identification (based on NFPA-704 M RatingSystem): Health 1, Flammability 3, Reactivity 0.*The range of accepted odor threshold values is quite broadand caution should be used in relying on odor alone as awarning of potentially hazardous exposure. | [Chemical Properties]
All isomers of amyl acetate are highly flammable,
colorless to yellow, watery liquids. | [Waste Disposal]
Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator
equipped with an afterburner and scrubber. All federal,
state, and local environmental regulations must be observed.
In accordance with 40CFR165, follow recommendations for
the disposal of pesticides and pesticide containers. Must be
disposed properly by following package label directions or
by contacting your local or federal environmental control
agency, or by contacting your regional EPA office. | [Physical properties]
Colorless liquid with a sweet, banana-like odor. A detection odor threshold concentration of 275
μg/m3 (52 ppbv) was reported by Punter (1983). Cometto-Mu?iz and Cain (1991) reported an
average nasal pungency threshold concentration of 1,650 ppmv. | [Definition]
ChEBI: An acetate ester of pentanol. | [Production Methods]
n-Amyl acetate is the produced by the esterification of
N-amyl alcohol with acetic acid. | [Synthesis Reference(s)]
Synthetic Communications, 21, p. 1545, 1991 DOI: 10.1080/00397919108021051
Tetrahedron Letters, 50, p. 395, 2009 DOI: 10.1016/j.tetlet.2008.11.024
The Journal of Organic Chemistry, 45, p. 2915, 1980 DOI: 10.1021/jo01302a035 | [Chemical Reactivity]
Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent. | [Carcinogenicity]
Not listed by ACGIH, California
Proposition 65, IARC, NTP, or OSHA. | [Source]
Identified among 139 volatile compounds identified in cantaloupe (Cucumis melo var.
reticulates cv. Sol Real) using an automated rapid headspace solid phase microextraction method
(Beaulieu and Grimm, 2001). | [Environmental Fate]
Chemical/Physical. Hydrolyzes in water forming acetic acid and 1-pentanol.
At an influent concentration of 985 mg/L, treatment with GAC resulted in an effluent
concentration of 119 mg/L. The adsorbability of the carbon used was 175 mg/g carbon (Guisti et
al., 1974). | [storage]
Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with this chemical you should be trained onits proper handling and storage. Before entering confinedspace where amyl acetates may be present, check to makesure that an explosive concentration does not exist. Store intightly closed containers in a cool, well-ventilated area, preferably a detached shed. Metal containers involving the transfer of this chemical should be grounded and bonded. Wherepossible, automatically pump liquid from drums or otherstorage containers to process containers. Drums must beequipped with self-closing valves, pressure vacuum bungs,and flame arresters. Use only nonsparking tools and equipment, especially when opening and closing containers ofthis chemical. Sources of ignition, such as smoking andopen flames, are prohibited where this chemical is used,handled, or stored in a manner that could create a potentialfire or explosion hazard. | [Purification Methods]
Shake the ester with saturated NaHCO3 solution until neutral, washed it with water, dry with MgSO4 and distil it. The ester has also been purfied by repeated fractional distillation through an efficient column or spinning band column. [Timmermann & Hennant-Roland J Chim Phys 52 223 1955, Mumford & Phillips J Chem Soc 75 1950, 1H NMR: Crawford & Foster Can J Phys 34 653 1956, Beilstein 2 IV 152.] |
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