W267619
乙酸甲酯
natural, 98%, FG
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线性分子式:
CH3COOCH3
化学文摘社编号:
分子量:
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
InChI
1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChI key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
SMILES string
COC(C)=O
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
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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
存储类别
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
法规信息
危险化学品
此项目有
Franc Avbelj et al.
Proceedings of the National Academy of Sciences of the United States of America, 106(9), 3137-3141 (2009-02-10)
Recent calorimetric measurements of the solvation enthalpies of some dipeptide analogs confirm our earlier prediction that the principle of group additivity is not valid for the interaction of the peptide group with water. We examine the consequences for understanding the
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
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
Sara M Aschmann et al.
Environmental science & technology, 45(16), 6896-6901 (2011-07-22)
3-Methoxy-3-methyl-1-butanol [CH(3)OC(CH(3))(2)CH(2)CH(2)OH] is used as a solvent for paints, inks, and fragrances and as a raw material for the production of industrial detergents. A rate constant of (1.64 ± 0.18) × 10(-11) cm(3) molecule(-1) s(-1) for the reaction of 3-methoxy-3-methyl-1-butanol
Lei Yang et al.
The journal of physical chemistry. A, 112(28), 6364-6372 (2008-06-21)
The mechanisms and the kinetics of the OH (OD) radicals with methyl acetate CH3C(O)OCH3 are investigated theoretically. The dual-level direct dynamics method is employed in the calculation of the rate constants. The optimized geometries and frequencies and the gradients of
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