Merck
CN
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文件

安全信息

W268305

Sigma-Aldrich

苯甲酸甲酯

≥98%, FCC, FG

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别名:
Bnzoic acid methyl ester, Clorius, Methyl benzene carboxylate
线性分子式:
C6H5COOCH3
CAS号:
93-58-3
分子量:
136.15
FEMA编号:
2683
Beilstein:
1072099
EC 号:
202-259-7
欧洲委员会编号:
260
MDL编号:
MFCD00008421
PubChem化学物质编号:
24901249
Flavis编号:
9.725
NACRES:
NA.21

生物来源

synthetic

等级

FG

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

蒸汽密度

4.68 (vs air)

蒸汽压

<1 mmHg ( 20 °C)

检测方案

≥98%

折射率

n20/D 1.516 (lit.)

bp

198-199 °C (lit.)

mp

−12 °C (lit.)

溶解性

ethanol: 60%, clear (1mL/4ml)

密度

1.088 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

性状检查

floral; phenolic; wintergreen

SMILES string

COC(=O)c1ccccc1

InChI

1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3

InChI key

QPJVMBTYPHYUOC-UHFFFAOYSA-N

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相关类别

象形图

Exclamation mark
GHS07

警示用语：

Warning

危险声明

H302

危险分类

Acute Tox. 4 Oral

储存分类代码

10 - Combustible liquids

WGK

WGK 1

闪点(°F)

170.6 °F - Pensky-Martens closed cup

闪点(°C)

77 °C - Pensky-Martens closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

危险化学品

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Giovana Ceni et al.
Enzyme and microbial technology, 48(2), 169-174 (2011-11-25)
The aim of this work is to report the enzymatic transesterification production of 1-glyceryl benzoate under ultrasound irradiation, using a commercial immobilized lipase, Novozym 435. Firstly, a preliminary evaluation was carried out at 2, 4 and 6h, at constant temperature
Joseph Moran et al.
The Journal of organic chemistry, 73(3), 1004-1007 (2007-12-29)
A photoinduced procedure for the intermolecular hydroamination of alkenes using azoles is described. This reaction occurs in modest to good yield for 6- and 7-membered cyclic alkenes. Upon irradiation at 254 nm in the presence of methyl benzoate and a
N Sundaraganesan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(3), 771-777 (2007-04-17)
The Fourier transform Raman and Fourier transform infrared spectra of methyl benzoate (MB) were recorded in the liquid phase. The equilibrium geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, depolarization ratios, reduced masses were calculated by Hartree-Fock (HF)
Gianfranco Cainelli et al.
Chemistry & biodiversity, 5(5), 811-829 (2008-05-22)
Novel 4-alkylidene-beta-lactams with a polyphenolic side chain were synthesized and evaluated as radical scavengers. We have undertaken a detailed study of the antioxidant activity in vitro with chemical and biological testing of the new beta-lactams and of the corresponding methyl
Derek R Boyd et al.
Organic & biomolecular chemistry, 8(6), 1415-1423 (2010-03-06)
The cis-dihydrodiol metabolite from methyl benzoate has been used as a synthetic precursor of carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose. The structures and absolute configurations of these carbasugars were determined by a combination of NMR spectroscopy, stereochemical correlation and X-ray crystallography.
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