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Merck
CN

W268305

苯甲酸甲酯

≥98%, FCC, FG

别名:

Bnzoic acid methyl ester, Clorius, Methyl benzene carboxylate

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关于此项目

线性分子式:
C6H5COOCH3
化学文摘社编号:
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
UNSPSC代码:
12164502
PubChem化学物质编号:
24901249
Flavis编号:
9.725
NACRES:
NA.21
Agency:
meets purity specifications of JECFA

主要文件

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生物来源

synthetic

质量水平

300
400

等级

FG

Agency

meets purity specifications of JECFA

管理合规性

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)

方案

≥98%

折射率

n20/D 1.516 (lit.)

沸点

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.)

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

floral; phenolic; wintergreen

SMILES字符串

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

Health hazardExclamation mark
GHS08,GHS07

警示用语：

Warning

危险声明

H302,H361d

危险分类

Acute Tox. 4 Oral - Repr. 2

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
此项目有

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBP2313
SHBP5647
STBK2706
STBJ9840
STBJ6599

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Nan Zhao et al.
Plant physiology and biochemistry : PPB, 48(4), 279-287 (2010-03-05)
Two benzenoid esters, methyl salicylate (MeSA) and methyl benzoate (MeBA), were detected from insect-damaged rice plants. By correlating metabolite production with gene expression analysis, five candidate genes encoding putative carboxyl methyltransferases were identified. Enzymatic assays with Escherichia coli-expressed recombinant proteins
M Iqbal Choudhary et al.
Phytochemistry, 69(4), 1018-1023 (2008-01-08)
Two glycosides, 6'-O-(3,4-dihydroxy benzoyl)-beta-D-glucopyranosyl ester (1), and 4-O-beta-d-glucopyranoside-3-hydroxy methyl benzoate (2), along with five known compounds methyl benzoate (3), hypogallic acid (4), caffeic acid (5), paeoniflorin (6) and pikuroside (7) were isolated for the first time from a fresh water
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.
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
Na Lin et al.
The journal of physical chemistry. B, 112(15), 4703-4710 (2008-03-22)
We present a theoretical study of the solvent-induced three-photon absorption cross section of a highly conjugated fluorene derivative, performed using density functional (DFT) cubic response theory in combination with the polarizable continuum model. The applicability of the often used two-state
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