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线性分子式:
CH3COOCH3
化学文摘社编号:
分子量:
74.08
UNSPSC Code:
12352108
EC Number:
201-185-2
PubChem Substance ID:
Beilstein/REAXYS Number:
1736662
MDL number:
Assay:
≥99.5%
Grade:
JIS special grade
Bp:
57-58 °C (lit.)
Vapor pressure:
165 mmHg ( 20 °C)
InChI key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
InChI
1S/C3H6O2/c1-3(4)5-2/h1-2H3
SMILES string
COC(C)=O
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
dilution
(for analytical testing)
refractive index
n20/D 1.361 (lit.)
bp
57-58 °C (lit.)
mp
−98 °C (lit.)
density
0.934 g/mL at 25 °C
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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
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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
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
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
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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