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Key Documents

W267600

Sigma-Aldrich

Methyl acetate

≥98%, FG

Synonym(s):

Methyl ethanoate

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About This Item

Linear Formula:
CH3COOCH3
CAS Number:
Molecular Weight:
74.08
FEMA Number:
2676
Beilstein:
1736662
EC Number:
Council of Europe no.:
213
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.023
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515
FDA 21 CFR 175.105

vapor density

2.55 (vs air)

vapor pressure

165 mmHg ( 20 °C)

Assay

≥98%

form

liquid

autoignition temp.

936 °F

expl. lim.

16 %

refractive index

n20/D 1.361 (lit.)

bp

57-58 °C (lit.)

mp

−98 °C (lit.)

density

0.934 g/mL at 25 °C

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

fruity; ethereal; sweet

SMILES string

COC(C)=O

InChI

1S/C3H6O2/c1-3(4)5-2/h1-2H3

InChI key

KXKVLQRXCPHEJC-UHFFFAOYSA-N

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General description

Methyl acetate has been identified as one of the volatile components in fresh grapefruit juice, green coffee and cantaloupe.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

8.6 °F - closed cup

Flash Point(C)

-13 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Identification of Additional Volatile Compounds from Cbntaloupe.
Senter S.
Journal of Food Science, 52(4), 1097-1098 (1987)
Analysis of volatile components in fresh grapefruit juice by purge and trap/gas chromatography.
Cadwallader KR & Xu Y
Journal of Agricultural and Food Chemistry, 42(3), 782-784 (1994)
Impact of ?ecological? post-harvest processing on the volatile fraction of coffee beans: I. Green coffee
Gonzalez-Rios O, et al.
J. Food Compos. Anal., 20(3), 289-296 (2007)
DeLu Tyler Yin et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(26), 8130-8139 (2012-05-24)
Several serine hydrolases catalyze a promiscuous reaction: perhydrolysis of carboxylic acids to form peroxycarboxylic acids. The working hypothesis is that perhydrolases are more selective than esterases for hydrogen peroxide over water. In this study, we tested this hypothesis, and focused
M L Senent et al.
The Journal of chemical physics, 138(4), 044319-044319 (2013-02-08)
Highly correlated ab initio calculations (CCSD(T)) are used to compute gas phase spectroscopic parameters of three isotopologues of the methyl acetate (CH(3)COOCH(3), CD(3)COOCH(3), and CH(3)COOCD(3)), searching to help experimental assignments and astrophysical detections. The molecule shows two conformers cis and

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