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Merck
CN

W213519

Benzyl acetate

greener alternative

natural, ≥99%, FCC, FG

Synonym(s):

Acetic acid benzyl ester

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About This Item

Linear Formula:
CH3COOCH2C6H5
CAS Number:
140-11-4
Molecular Weight:
150.17
FEMA Number:
2135
Council of Europe no.:
204
UNSPSC Code:
12164502
PubChem Substance ID:
24900873
Flavis number:
9.014
EC Number:
205-399-7
NACRES:
NA.21
MDL number:
MFCD00008712
Beilstein/REAXYS Number:
1908121
Organoleptic:
fruity; floral; sweet
Grade:
FG, Halal, Kosher, natural
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CC(=O)OCc1ccccc1

InChI

1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI key

QUKGYYKBILRGFE-UHFFFAOYSA-N

grade

FG, Halal, Kosher, natural

agency

meets purity specifications of JECFA

reg. compliance

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

vapor pressure

23 mmHg ( 110 °C)

assay

≥99%

autoignition temp.

862 °F

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.502 (lit.)

bp

206 °C (lit.)

mp

−51 °C (lit.)

density

1.054 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

greener alternative category

Aligned,

organoleptic

fruity; floral; sweet

Quality Level

300, 400

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

hcodes

H412

Hazard Classifications

Aquatic Chronic 3

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

203.0 °F - closed cup

flash_point_c

95 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT6457
SHBT2014
SHBQ1195
SHBP5505
SHBP0441

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G Y Wittman et al.
Journal of chromatography. A, 874(2), 225-234 (2000-05-19)
The direct derivatisation of acetic acid with n-hexyl chloroformate and with benzyl bromide in water was evaluated. With n-hexyl chloroformate, acetic acid did not give the n-hexyl acetate derivative, but the reaction of acetic acid with benzyl bromide in aqueous
Sotaro Momosaki et al.
Nuclear medicine and biology, 34(8), 939-944 (2007-11-14)
In order to develop a suitable radiotracer for the measurement of glial metabolism, we synthesized four different types of ester derivatives of [14C]acetate, namely, [14C]phenyl acetate, [14C]para-nitrophenyl acetate, [14C]2,4-dinitrophenyl acetate and [14C]benzyl acetate ([14C]BA), and evaluated their potencies in rats.
J Caldwell
Teratogenesis, carcinogenesis, and mutagenesis, 13(4), 185-190 (1993-01-01)
The mouse lymphoma assay is commonly included in batteries of tests for the mutagenic and carcinogenic potential of chemicals. Unlike other bacterial and mammalian cell tests, it has an unacceptably high incidence of false positive results. This paper reviews data
C Pizarro et al.
Analytica chimica acta, 608(1), 38-47 (2008-01-22)
Headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography (GC) and multivariate data analysis were applied to classify different vinegar types (white and red, balsamic, sherry and cider vinegars) on the basis of their volatile composition. The collected chromatographic signals were
A Benhmid et al.
Chemical communications (Cambridge, England), (21)(21), 2416-2417 (2004-10-30)
A first approach to successful prevention of catalyst deactivation while simultaneously achieving extremely high selectivity of benzyl acetate (> or = 95%) at significantly high toluene conversion (> 70%) by gas phase acetoxylation over novel Pd-Sb-Bi/TiO2 catalysts.
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