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安全信息

W268305

Sigma-Aldrich

苯甲酸甲酯

≥98%, FCC, FG

别名:

Bnzoic acid methyl ester, Clorius, Methyl benzene carboxylate

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About This Item

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
UNSPSC代码:
12164502
PubChem化学物质编号:
24901249
Flavis编号:
9.725
NACRES:
NA.21
性状检查:
floral; phenolic; wintergreen
等级:
FG
生物来源:
synthetic
Agency:
meets purity specifications of JECFA
食品过敏原:
no known allergens

生物来源

synthetic

质量水平

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

从最新的版本中选择一种：

分析证书(COA)

Lot/Batch Number
SHBP2313
SHBP5647
STBK2706
STBJ9840
STBJ6599

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María Manchado-Rojo et al.
The Plant journal : for cell and molecular biology, 72(2), 294-307 (2012-06-20)
The transcriptional network topology of B function in Antirrhinum, required for petal and stamen development, is thought to rely on initial activation of transcription of DEFICIENS (DEF) and GLOBOSA (GLO), followed by a positive autoregulatory loop maintaining gene expression levels.
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
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)
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
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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