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Merck
CN

50475

Benzyl acetate

analytical standard

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757602
EC Number:
205-399-7
Beilstein/REAXYS Number:
1908121
MDL number:
MFCD00008712

Key Documents

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Product Name

Benzyl acetate, analytical standard

InChI key

QUKGYYKBILRGFE-UHFFFAOYSA-N

InChI

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

SMILES string

CC(=O)OCc1ccccc1

grade

analytical standard

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

Quality Level

100

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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).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

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

Other Notes

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.

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
BCCN0889
BCCL6237
BCCJ8895
BCCG0116
BCCF7252

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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)
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)
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)
A Garnett et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 32(11), 1061-1065 (1994-11-01)
The comparative absorption of the fragrance and industrial compound, benzyl acetate, has been studied in rat and human skin, using shaved, full-thickness dorsal skin of male Fischer 344 rats and full-thickness human skin obtained from patients undergoing surgical resection. Penetration
L A Tepikina et al.
Gigiena i sanitariia, (10)(10), 7-9 (1993-10-01)
LD50 of benzyl-acetate (BA) was determined on the level 2500 mg/kg. Sensitivity of developed method for BA analysis--0.008-0.01 mg/m3. Single MAC of BA in environmental air is 0.01 mg/m3 (4th class of danger).
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