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Merck
CN

19-2350

Sigma-Aldrich

乙酸甲酯

SAJ first grade, ≥99.0%

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线性分子式:
CH3COOCH3
化学文摘社编号:
分子量:
74.08
Beilstein:
1736662
EC 号:
MDL编号:
UNSPSC代码:
12352108
PubChem化学物质编号:
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等级

SAJ first grade

蒸汽密度

2.55 (vs air)

蒸汽压

165 mmHg ( 20 °C)

方案

≥99.0%

表单

liquid

自燃温度

936 °F

expl. lim.

16 %

存货情况

available only in Japan

dilution

(for analytical testing)

折射率

n20/D 1.361 (lit.)

沸点

57-58 °C (lit.)

mp

−98 °C (lit.)

密度

0.934 g/mL at 25 °C

SMILES字符串

COC(C)=O

InChI

1S/C3H6O2/c1-3(4)5-2/h1-2H3

InChI key

KXKVLQRXCPHEJC-UHFFFAOYSA-N

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象形图

FlameExclamation mark

警示用语:

Danger

危险声明

危险分类

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

靶器官

Central nervous system

补充剂危害

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

8.6 °F - closed cup

闪点(°C)

-13 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves

法规信息

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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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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

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