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Merck
CN

W267619

Sigma-Aldrich

乙酸甲酯

natural, 98%, FG

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About This Item

线性分子式:
CH3COOCH3
CAS号:
分子量:
74.08
FEMA编号:
2676
Beilstein:
1736662
EC 号:
欧洲委员会编号:
213c
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
9.023
NACRES:
NA.21

等级

FG
Halal
Kosher
natural

质量水平

管理合规性

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 175.105

蒸汽密度

2.55 (vs air)

蒸汽压

165 mmHg ( 20 °C)

检测方案

98%

形式

liquid

自燃温度

936 °F

expl. lim.

16 %

折射率

n20/D 1.361 (lit.)

bp

57-58 °C (lit.)

mp

−98 °C (lit.)

密度

0.934 g/mL at 25 °C

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

性状检查

ethereal; fruity; sweet

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

WGK

WGK 1

个人防护装备

Eyeshields, Faceshields, Gloves

法规信息

危险化学品

分析证书(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
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
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
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

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