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W213519

Sigma-Aldrich

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
Beilstein/REAXYS Number:
1908121
EC Number:
205-399-7
Council of Europe no.:
204
MDL number:
MFCD00008712
UNSPSC Code:
12164502
PubChem Substance ID:
24900873
Flavis number:
9.014
NACRES:
NA.21

grade

FG
Halal
Kosher
natural

Quality Level

400

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

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

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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_germany

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

Certificates of Analysis (COA)

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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.
J H Yuan et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 33(2), 151-158 (1995-02-01)
Effects of gavage versus dosed feed administration on the toxicokinetics of benzyl acetate were studied in male F344 rats and B6C3F1 mice. Benzyl acetate was rapidly hydrolysed to benzyl alcohol and then oxidized to benzoic acid. After gavage administration of
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
D S Longnecker et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 28(10), 665-668 (1990-10-01)
Benzyl acetate was found to induce liver tumours and gastric squamous neoplasms in mice in a chronic bioassay conducted through the National Toxicology Program. An increased incidence of acinar cell adenomas of the pancreas of F344 rats was noted in
Eşref Demir et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 48(5), 1239-1242 (2010-02-23)
In this study, different concentrations of four benzyl derivatives (benzyl alcohol, benzyl acetate, benzoic acid and benzaldehyde) used as flavour ingredients were investigated for genotoxicity in in vitro. By taking blood from two healthy people comet assay was carried on
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