45997
乙酸甲酯
analytical standard
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关于此项目
线性分子式:
CH3COOCH3
化学文摘社编号:
分子量:
74.08
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
201-185-2
Beilstein/REAXYS Number:
1736662
MDL number:
产品名称
乙酸甲酯, analytical standard
InChI key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
InChI
1S/C3H6O2/c1-3(4)5-2/h1-2H3
SMILES string
COC(C)=O
grade
analytical standard
vapor density
2.55 (vs air)
vapor pressure
165 mmHg ( 20 °C)
assay
≥99.9% (GC)
autoignition temp.
936 °F
shelf life
limited shelf life, expiry date on the label
expl. lim.
16 %
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
refractive index
n20/D 1.361 (lit.)
n20/D 1.362
bp
57-58 °C (lit.)
mp
−98 °C (lit.)
density
0.934 g/mL at 25 °C
application(s)
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
format
neat
Quality Level
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Application
本分析标准品也可以适用于以下情况：
- 动态顶空-气相色谱-质谱法(D-HS-GC-MS)定量分析涂料样品中的七种挥发性有机物(VOCs)
- 固相微萃取-气相色谱-质谱联用检测肺癌患者呼吸样品中88种挥发性有机化合物
- 开发基于热解吸-气相色谱-质谱(TDS-GC/MS)的室内空气样品中挥发性有机物(VVOCs)鉴定方法
General description
醋酸甲酯是一种醋酸酯，属于挥发性有机化合物(VOC)。它被用作许多树脂和油的溶剂的。
Other Notes
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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
危险化学品
此项目有
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
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
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
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
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