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Merck

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:
分子量:
136.15
FEMA號碼:
2683
Beilstein:
1072099
EC號碼:
歐洲委員會號碼:
260
MDL號碼:
分類程式碼代碼:
12164502
PubChem物質ID:
Flavis號碼:
9.725
NACRES:
NA.21

生物源

synthetic

等級

FG

agency

meets purity specifications of JECFA

法律遵循

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

蒸汽密度

4.68 (vs air)

蒸汽壓力

<1 mmHg ( 20 °C)

化驗

≥98%

折射率

n20/D 1.516 (lit.)

bp

198-199 °C (lit.)

mp

−12 °C (lit.)

溶解度

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

密度

1.088 g/mL at 20 °C (lit.)

應用

flavors and fragrances

文件

see Safety & Documentation for available documents

食物過敏原

no known allergens

感官的

floral; phenolic; wintergreen

SMILES 字串

COC(=O)c1ccccc1

InChI

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

InChI 密鑰

QPJVMBTYPHYUOC-UHFFFAOYSA-N

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象形圖

Health hazardExclamation mark

訊號詞

Warning

危險聲明

危險分類

Acute Tox. 4 Oral - Repr. 2

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 1

閃點(°F)

170.6 °F - Pensky-Martens closed cup

閃點(°C)

77 °C - Pensky-Martens closed cup

個人防護裝備

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


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分析证书(COA)

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其他客户在看

Slide 1 of 2

1 of 2

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
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.
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.
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)

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