W267619
Methyl acetate
natural, 98%, FG
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About This Item
Linear Formula:
CH3COOCH3
CAS Number:
Molecular Weight:
74.08
FEMA Number:
2676
Council of Europe no.:
213c
UNSPSC Code:
12164502
PubChem Substance ID:
NACRES:
NA.21
EC Number:
201-185-2
Flavis number:
9.023
MDL number:
Beilstein/REAXYS Number:
1736662
Organoleptic:
ethereal; fruity; sweet
Grade:
FG, Halal, Kosher, natural
Food allergen:
no known allergens
grade
FG, Halal, Kosher, natural
reg. compliance
EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117, 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
organoleptic
ethereal; fruity; 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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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
8.6 °F - closed cup
flash_point_c
-13 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
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Related Content
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
Marco Candelaresi et al.
The journal of physical chemistry. A, 113(46), 12783-12790 (2009-10-02)
The solvation dynamics of methyl acetate in heavy water are analyzed by means of two-dimensional infrared spectroscopy, in conjunction with Car-Parrinello molecular dynamics simulations. The C horizontal lineO stretching infrared band of methyl acetate in water splits into a doublet