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Benzyl acetate

analytical standard

Synonym(s):

Acetic acid benzyl ester

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About This Item

Linear Formula:
CH3COOCH2C6H5
CAS Number:
Molecular Weight:
150.17
Beilstein:
1908121
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor pressure

23 mmHg ( 110 °C)

Assay

≥99.7% (GC)

autoignition temp.

862 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.502 (lit.)
n20/D 1.503

bp

206 °C (lit.)

mp

−51 °C (lit.)

density

1.054 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

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

Benzyl acetates are generally used as flavoring agents and preservatives. They find applications in foods and beverages, drugs, cosmetics, pharmaceuticals, etc.

Application

Benzyl acetate has been used as a reference standard for the determination of the analyte in e-cigarette refill solutions as flavoring additives and in muskmelon and watermelon fruits as aromatic agents by gas chromatography-mass spectrometry (GC-MS), and in scented consumer products as odor compounds by gas chromatography-olfactometry (GC-O).
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Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Hazard Statements

Precautionary Statements

Hazard Classifications

Aquatic Chronic 3

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

203.0 °F - closed cup

Flash Point(C)

95 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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Analysis of odour compounds from scented consumer products using gas chromatography-mass spectrometry and gas chromatography-olfactometry
Bartsch J, et al.
Analytica Chimica Acta, 904(5), 98-106 (2016)
Comprehensive determination of flavouring additives and nicotine in e-cigarette refill solutions. Part II: Gas-chromatography-mass spectrometry analysis
Aszyk J, et al.
Journal of Chromatography A, 1517(5), 156-164 (2017)
Quantification of prominent volatile compounds responsible for muskmelon and watermelon aroma by purge and trap extraction followed by gas chromatography-mass spectrometry determination
Fredes A, et al.
Food Chemistry, 190(5), 689-700 (2016)
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
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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