27614
苯甲酸甲酯
≥99% (GC)
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关于此项目
线性分子式:
C6H5COOCH3
化学文摘社编号:
分子量:
136.15
EC Number:
202-259-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1072099
MDL number:
Assay:
≥99% (GC)
InChI key
QPJVMBTYPHYUOC-UHFFFAOYSA-N
InChI
1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
SMILES string
COC(=O)c1ccccc1
vapor density
4.68 (vs air)
vapor pressure
<1 mmHg ( 20 °C)
assay
≥99% (GC)
impurities
≤0.2% free acid (as C6H5COOH), ≤0.2% water (Karl Fischer)
ign. residue
≤0.05% (as SO4)
refractive index
n20/D 1.516 (lit.)
bp
198-199 °C (lit.)
mp
−12 °C (lit.)
solubility
H2O: soluble 2.1 g/L at 20 °C
density
1.088 g/mL at 20 °C (lit.)
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General description
Methyl benzoate is the most abundant volatile scent compound present in snapdragon flowers.
Application
Methyl benzoate has been used in benzoylations of both methyl ketone groups of bisacetylferrocene to form the bis-β-diketone.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Repr. 2
存储类别
10 - Combustible liquids
wgk
WGK 1
flash_point_f
170.6 °F - Pensky-Martens closed cup
flash_point_c
77 °C - Pensky-Martens closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
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.
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
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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