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Merck

27614

Sigma-Aldrich

苯甲酸甲酯

≥99% (GC)

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About This Item

线性分子式:
C6H5COOCH3
CAS号:
分子量:
136.15
Beilstein:
1072099
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:

蒸汽密度

4.68 (vs air)

蒸汽壓力

<1 mmHg ( 20 °C)

化驗

≥99% (GC)

雜質

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

燃燒殘留物

≤0.05% (as SO4)

折射率

n20/D 1.516 (lit.)

bp

198-199 °C (lit.)

mp

−12 °C (lit.)

溶解度

H2O: soluble 2.1 g/L at 20 °C

密度

1.088 g/mL at 20 °C (lit.)

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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一般說明

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

應用

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

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


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
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
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

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