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W200905

Sigma-Aldrich

Acetophenone

≥98%, FG

Synonym(s):

Methyl phenyl ketone

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About This Item

Linear Formula:
CH3COC6H5
CAS Number:
98-86-2
Molecular Weight:
120.15
FEMA Number:
2009
Beilstein:
605842
EC Number:
202-708-7
Council of Europe no.:
138
MDL number:
MFCD00008724
UNSPSC Code:
12164502
PubChem Substance ID:
24900797
Flavis number:
7.004
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 172.515

vapor density

4.1 (vs air)

vapor pressure

0.45 mmHg ( 25 °C)
1 mmHg ( 15 °C)

Assay

≥98%

form

liquid
semisolid

autoignition temp.

1058 °F

refractive index

n20/D 1.534 (lit.)

bp

202 °C (lit.)

mp

19-20 °C (lit.)

density

1.03 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

almond; cherry; coumarin; nutty; sweet; vanilla

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 saturated ketone that has been reported in the volatile flavor fraction of crayfish waste.

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Volatile flavor components in crayfish waste.
Tanchotikul U & Hsieh TCY
Journal of Food Science, 54(6), 1515-1520 (1989)
Terra D Haddad et al.
The Journal of organic chemistry, 77(2), 889-898 (2011-12-14)
We report a simple, efficient, and general method for the indium-mediated enantioselective propargylation of aromatic and aliphatic aldehydes under Barbier-type conditions in a one-pot synthesis affording the corresponding chiral alcohol products in very good yield (up to 90%) and enantiomeric
A Carl Sanchez et al.
Journal of chromatography. A, 1228, 338-348 (2012-02-07)
The observed performance when using high efficiency, low volume (U)HPLC columns has and continues to be limited by the extra column dispersion introduced by the chromatographic system. Even with the latest UHPLC instruments the injection and detection systems are still
Hemantkumar G Naik et al.
Organic & biomolecular chemistry, 10(25), 4961-4967 (2012-05-23)
In an effort to study the effect of substituent groups of the substrate on the alcohol dehydrogenase (ADH) reductions of aryl-alkyl ketones, several derivatives of acetophenone have been evaluated against ADHs from Lactobacillus brevis (LB) and Thermoanaerobacter sp. (T). Interestingly
Andre Jakoblinnert et al.
Chemical communications (Cambridge, England), 47(44), 12230-12232 (2011-10-19)
The asymmetric reduction of ketones is performed by using lyophilized whole cells in neat substrates with defined water activity (a(w)). Ketones and alcohols prone to be unstable in aqueous media can now be converted via biocatalysis.
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