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Merck
CN

27614

Sigma-Aldrich

苯甲酸甲酯

≥99% (GC)

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线性分子式:
C6H5COOCH3
化学文摘社编号:
分子量:
136.15
Beilstein:
1072099
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
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蒸汽密度

4.68 (vs air)

蒸汽压

<1 mmHg ( 20 °C)

方案

≥99% (GC)

杂质

≤0.2% free acid (as C6H5COOH)
≤0.2% water (Karl Fischer)

灼烧残渣

≤0.05% (as SO4)

折射率

n20/D 1.516 (lit.)

沸点

198-199 °C (lit.)

mp

−12 °C (lit.)

溶解性

H2O: soluble 2.1 g/L at 20 °C

密度

1.088 g/mL at 20 °C (lit.)

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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一般描述

Methyl benzoate is the most abundant volatile scent compound present in snapdragon flowers.

应用

Methyl benzoate has been used in benzoylations of both methyl ketone groups of bisacetylferrocene to form the bis-β-diketone.

象形图

Health hazardExclamation mark

警示用语:

Warning

危险声明

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
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Benzoylations of Both Methyl Ketone Groups of Bisacetylferrocene with Methyl Benzoate and Alkali Amides to Form the Bis-?-diketone. Certain Derivatives1.
Hauser CR and Cain CE.
The Journal of Organic Chemistry, 23(8), 1142-1146 (1958)
N Dudareva et al.
The Plant cell, 12(6), 949-961 (2000-06-15)
In snapdragon flowers, the volatile ester methyl benzoate is the most abundant scent compound. It is synthesized by and emitted from only the upper and lower lobes of petals, where pollinators (bumblebees) come in contact with the flower. Emission of
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, 6(7), 1251-1259 (2008-03-26)
A series of twelve benzoate esters was metabolised, by species of the Phellinus genus of wood-rotting fungi, to yield the corresponding benzyl alcohol derivatives and eight salicylates. The isolation of a stable oxepine metabolite, from methyl benzoate, allied to evidence
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

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