| Identification | More | [Name]
2-Methylbutyl acetate | [CAS]
624-41-9 | [Synonyms]
2-METHYLBUTYL ACETATE
ACETIC ACID 2-METHYLBUTYL ESTER
FEMA 3644
METHYL-2-BUTYL-ACETATE
1-Butanol,2-methyl-,acetate
2-methybutyl acetate
2-methyl-1-butanoacetate
2-methyl-1-butanol acetate
2-methyl-1-butanolacetate
2-Methyl-1-butyl acetate
2-Methylbutanol acetate
2-Methylbutylethanoate
aceticacidmethylbutylester
2-METHYLBUTYL ACETATE 94+% NATURAL
2-METHYLBUTYL ACETATE 99%
2-methylbutylacetate,2-methyl-1-butylacetate
2-METHYL BUTYL ACETATE, NATURAL | [EINECS(EC#)]
210-843-8 | [Molecular Formula]
C7H14O2 | [MDL Number]
MFCD00040494 | [Molecular Weight]
130.18 | [MOL File]
624-41-9.mol |
| Chemical Properties | Back Directory | [Appearance]
All isomers of amyl acetate are highly flammable,
colorless to yellow, watery liquids. | [Melting point ]
-74.65°C (estimate) | [Boiling point ]
138 °C741 mm Hg(lit.) | [density ]
0.876 g/mL at 25 °C(lit.)
| [FEMA ]
3644 | [refractive index ]
n20/D 1.401(lit.)
| [Fp ]
95 °F
| [form ]
neat | [color ]
APHA: ≤100 | [Odor]
at 100.00 %. over ripe fruit sweet banana juicy fruit | [biological source]
synthetic | [Odor Type]
fruity | [JECFA Number]
138 | [Henry's Law Constant]
2.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003) | [Exposure limits]
TLV-TWA: 50 ppm (266 mg/m3); TLV-STEL: 100 ppm (532 mg/m3) | [Major Application]
flavors and fragrances | [InChI]
1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3 | [InChIKey]
XHIUFYZDQBSEMF-UHFFFAOYSA-N | [SMILES]
CCC(C)COC(C)=O | [LogP]
2.12 | [CAS DataBase Reference]
624-41-9(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Butanol, 2-methyl-, acetate(624-41-9) | [EPA Substance Registry System]
1-Butanol, 2-methyl-, acetate (624-41-9) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226 | [Precautionary statements ]
P210-P370+P378 | [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 . | [OEB]
A | [OEL]
TWA: 100.0 ppm; 525.0 mg/m3 | [RIDADR ]
UN 1104 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
EL5466666
| [TSCA ]
TSCA listed | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29153900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
| Hazard Information | Back Directory | [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. | [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]
2-Methylbutyl acetate has an apple peel and banana odor. | [Chemical Properties]
2-Methylbutyl acetate has an apple peel and banana odor. | [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. | [Occurrence]
Reported found in apple, apple juice, pear, Scotch whiskey, white wine, Bantu beer, beer, cider, cocoa, fig,
grape, melon, pineapple, plum, baked potato, rum, sherry, strawberry, wine, apricot, vinegar, sweet cherry, pimento berry, olive, rye
bread, cognac, malt whiskey, rum, nectarines, mountain papaya and mango. | [Uses]
2-Methylbutyl acetate is a major contributor to the flavors of many apple cultivars, exhibiting banana and apple aroma attributes with a flavor threshold of 5 ppb in water[1][2]. Repeated exposure to 2-methylbutyl acetate may cause skin dryness or cracking[3]. | [Definition]
ChEBI: The acetate ester of 2-methylbutan-1-ol. | [Aroma threshold values]
Detection: 5 to 11 ppb | [Taste threshold values]
Taste characteristics at 20 ppm: fruity, sweet, banana, juicy fruit and tutti-frutti note. | [Toxics Screening Level]
The current Initial Threshold Screening Level (ITSL) for 2-methyl butyl acetate is 1100 μg/m3. | [References]
[1]Rowan, D. D., Lane, H. P., Allen, J. M., Fielder, S., & Hunt, M. B. (1996). Biosynthesis of 2-Methylbutyl, 2-Methyl-2-butenyl, and 2-Methylbutanoate Esters in Red Delicious and Granny Smith Apples Using Deuterium-Labeled Substrates. Journal of Agricultural and Food Chemistry, 44(10), 3276–3285. https://doi.org/10.1021/jf9508209
[2]Matich, A., & Rowan, D. (2007). Pathway Analysis of Branched-Chain Ester Biosynthesis in Apple Using Deuterium Labeling and Enantioselective Gas Chromatography−Mass Spectrometry. Journal of Agricultural and Food Chemistry, 55(7), 2727–2735. https://doi.org/10.1021/jf063018n
[3]on Additives and Products or Substances used in Animal Feed (FEEDAP), E. P. (2012). Scientific Opinion on the safety and efficacy of branched‐chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing branched‐chain alcohols and acetals containing branched‐chain aldehydes (chemical group 2) when used as flavourings for all animal species. EFSA Journal, 10(10). https://doi.org/10.2903/j.efsa.2012.2927 |
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