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Acetophenone

analytical standard

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Synonym(s):
Methyl phenyl ketone
Linear Formula:
CH3COC6H5
CAS Number:
98-86-2
Molecular Weight:
120.15
Beilstein:
605842
EC Number:
202-708-7
MDL number:
MFCD00008724
PubChem Substance ID:
329756199
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

SMILES string

CC(=O)c1ccccc1

InChI

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

InChI key

KWOLFJPFCHCOCG-UHFFFAOYSA-N

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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.

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 - H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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25G
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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)
Hazardous Chemicals: Safety Management and Global Regulations (2013)
Catalysis of Organic Reactions, 62 (1994)
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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