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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
Xinzheng Yang
Inorganic chemistry, 50(24), 12836-12843 (2011-11-23)
The hydrogenation of ketones catalyzed by 2,6-bis(diisopropylphosphinomethyl)pyridine (PNP)-ligated iron pincer complexes was studied using the range-separated and dispersion-corrected ωB97X-D functional in conjunction with the all-electron 6-31++G(d,p) basis set. A validated structural model in which the experimental isopropyl groups were replaced
Raphaël F Guignard et al.
Chemical communications (Cambridge, England), 47(44), 12185-12187 (2011-10-15)
A new concise route to Polycyclic Aromatic Hydrocarbons (PAHs) through radical addition and cyclisation of xanthates is described.
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
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