27614
Methyl benzoate
≥99% (GC)
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About This Item
Linear Formula:
C6H5COOCH3
CAS Number:
Molecular Weight:
136.15
EC Number:
202-259-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1072099
MDL number:
Assay:
≥99% (GC)
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.)
SMILES string
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
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.
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Hazard Classifications
Acute Tox. 4 Oral - Repr. 2
signalword
Warning
hcodes
Storage Class
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
Regulatory Information
危险化学品
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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