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Key Documents

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19-2340

Sigma-Aldrich

Methyl acetate

JIS special grade, ≥99.5%

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About This Item

Fórmula lineal:
CH3COOCH3
Número de CAS:
79-20-9
Peso molecular:
74.08
Beilstein/REAXYS Number:
1736662
EC Number:
201-185-2
MDL number:
MFCD00008711
UNSPSC Code:
12352108
PubChem Substance ID:
329751694

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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Categorías relacionadas

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

8.6 °F - closed cup

flash_point_c

-13 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Certificados de análisis (COA)

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Nicolas Salem et al.
Molecular imaging and biology : MIB : the official publication of the Academy of Molecular Imaging, 13(1), 140-151 (2010-04-20)
Studies have established the value of [(methyl)1-(11)C]-acetate ([(11)C]Act) combined with 2-deoxy-2[(18)F]fluoro-D-glucose (FDG) for detecting hepatocellular carcinoma (HCC) using positron emission tomography (PET). In this study, the metabolic fate of [(11)C]Act in HCC was characterized. Experiments with acetic acid [1-(14)C] sodium
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
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
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
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