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W268313

Sigma-Aldrich

Methyl benzoate

natural, ≥98%, FCC, FG

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W268313-SAMPLE-K
$62.20
100 G
$146.00
1 KG
$964.00

$62.20

Available to ship onApril 22, 2025Details

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W268313-SAMPLE-K
$62.20
100 G
$146.00
1 KG
$964.00

About This Item

Linear Formula:
C6H5COOCH3
CAS Number:
93-58-3
Molecular Weight:
136.15
FEMA Number:
2683
Beilstein/REAXYS Number:
1072099
EC Number:
202-259-7
Council of Europe no.:
260c
MDL number:
MFCD00008421
UNSPSC Code:
12164502
PubChem Substance ID:
24901250
Flavis number:
9.725
NACRES:
NA.21
organoleptic:
floral; phenolic
grade:
FG
Fragrance grade
Halal
Kosher
natural
agency:
follows IFRA guidelines
meets purity specifications of JECFA
food allergen:
no known allergens

$62.20

Available to ship onApril 22, 2025Details

Request a Bulk OrderRequest more information

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

300
400

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[1], mango[2] and kiwifruit.[3]

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Repr. 2

Storage Class

10 - Combustible liquids

wgk_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP1815
SHBM9257
MKCC0034
MKBV4380V
MKBP4858V

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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)
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
Derek R Boyd et al.
Organic & biomolecular chemistry, 8(6), 1415-1423 (2010-03-06)
The cis-dihydrodiol metabolite from methyl benzoate has been used as a synthetic precursor of carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose. The structures and absolute configurations of these carbasugars were determined by a combination of NMR spectroscopy, stereochemical correlation and X-ray crystallography.
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