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Key Documents

W268313

Sigma-Aldrich

Methyl benzoate

natural, ≥98%, FCC, FG

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About This Item

Linear Formula:
C6H5COOCH3
CAS Number:
Molecular Weight:
136.15
FEMA Number:
2683
Beilstein:
1072099
EC Number:
Council of Europe no.:
260c
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.725
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117

vapor density

4.68 (vs air)

vapor pressure

<1 mmHg ( 20 °C)

Assay

≥98%

refractive index

n20/D 1.516 (lit.)

bp

198-199 °C (lit.)

mp

−12 °C (lit.)

solubility

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

density

1.088 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

floral; phenolic

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

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General description

Methyl benzoate occurs naturally in guava, mango and kiwifruit.

Pictograms

Health hazardExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Repr. 2

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Dynamic headspace concentration and gas chromatography of volatile flavor components in peach.
Narain N, et al.
Journal of Food Science, 55(5), 1303-1307 (1990)
Application of headspace solid-phase microextraction to volatile flavour profile development during storage and ripening of kiwifruit.
Wan XM, et al.
Food Research International, 32(3), 175-183 (1999)
Contribution of volatile compounds to mango (Mangifera indica L.) aroma
Pino JA & Mesa J
Flavour and Fragrance Journal, 21(2), 207-213 (2006)
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
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

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