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About This Item
Linear Formula:
CH3COOCH3
CAS Number:
Molecular Weight:
74.08
Beilstein:
1736662
EC Number:
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
grade:
JIS special grade
Assay:
≥99.5%
bp:
57-58 °C (lit.)
vapor pressure:
165 mmHg ( 20 °C)
Recommended Products
grade
JIS special grade
vapor density
2.55 (vs air)
vapor pressure
165 mmHg ( 20 °C)
Assay
≥99.5%
form
liquid
autoignition temp.
936 °F
expl. lim.
16 %
availability
available only in Japan
refractive index
n20/D 1.361 (lit.)
bp
57-58 °C (lit.)
mp
−98 °C (lit.)
density
0.934 g/mL at 25 °C
SMILES string
COC(C)=O
InChI
1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChI key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
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Related Categories
Signal Word
Danger
Hazard Statements
Precautionary 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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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
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
Benjamin Bechem et al.
The Journal of organic chemistry, 75(5), 1795-1798 (2010-02-06)
5-Substituted-2-furan methanols 1a-c are subject to enantioselective carbonyl allylation, crotylation and tert-prenylation upon exposure to allyl acetate, alpha-methyl allyl acetate, or 1,1-dimethylallene in the presence of an ortho-cyclometalated iridium catalyst modified by (R)-Cl,MeO-BIPHEP, (R)-C3-TUNEPHOS, and (R)-C3-SEGPHOS, respectively. In the presence
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