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Merck

42163

Acetophenone

analytical standard

Synonym(s):

Methyl phenyl ketone

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About This Item

Linear Formula:
CH3COC6H5
CAS Number:
Molecular Weight:
120.15
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
202-708-7
Beilstein/REAXYS Number:
605842
MDL number:

Product Name

Acetophenone, analytical standard

InChI key

KWOLFJPFCHCOCG-UHFFFAOYSA-N

InChI

1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

SMILES string

CC(=O)c1ccccc1

grade

analytical standard

vapor density

4.1 (vs air)

vapor pressure

0.45 mmHg ( 25 °C)
1 mmHg ( 15 °C)

assay

≥99.5% (GC)

autoignition temp.

1058 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.534 (lit.)
n20/D 1.535

bp

202 °C (lit.)

mp

19-20 °C (lit.)

density

1.03 g/mL at 25 °C (lit.)

application(s)

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

format

neat

Quality Level

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Application

Acetophenone can stimulate the reductive alkylation of aniline to form N-phenyl-alpha-methylbenzylamine. It can also undergo coupling reaction, catalyzed the copper under molecular oxygen in the presence of boron trifluoride etherate as an additive, to give 1-(4-aminophenyl)-2-phenylethane-1,2-dione.
Acetophenone may be used as an analytical reference standard for the determination of the analyte in perfumes and different varieties of African star apple fruit (Chrysophillum albidum) by chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Acetophenone is a colourless liquid with a sweet pungent taste. It can be used in perfume industry, as a fragrance ingredient and also as a flavouring agent in food industries.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

179.6 °F - closed cup

flash_point_c

82 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Certificates of Analysis (COA)

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Hazardous Chemicals: Safety Management and Global Regulations (2013)
Catalysis of Organic Reactions, 62 (1994)
Determination of Phenones in a Perfume Composition
Siddiqi I and Pitre KS
Reviews in Analytical Chemistry, 22(1), 9-18 (2003)
Copper-catalyzed aerobic oxygenative cross dehydrogenative coupling of methyl ketones with para-C?H of primary anilines
Ji X, et al.
Green Chemistry, 19, 619-622 (2017)
Headspace solid-phase microextraction gas chromatography?mass spectrometry determination of volatile compounds in different varieties of African star apple fruit (Chrysophillum albidum).
Lasekan O, et al.
Food Chemistry, 141(3), 2089-2097 (2013)

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