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W267708

Sigma-Aldrich

4′-Methylacetophenone

≥95%, FCC, FG

Synonym(s):

Methyl p-tolyl ketone

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About This Item

Linear Formula:
CH3C6H4COCH3
CAS Number:
122-00-9
Molecular Weight:
134.18
FEMA Number:
2677
Beilstein/REAXYS Number:
606053
EC Number:
204-514-8
Council of Europe no.:
156
MDL number:
MFCD00008751
UNSPSC Code:
12164502
PubChem Substance ID:
24901243
Flavis number:
7.022
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
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

assay

≥95%

refractive index

n20/D 1.533 (lit.)

bp

226 °C (lit.)

mp

22-24 °C (lit.)

density

1.004 g/mL at 20 °C
1.005 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

hawthorne; floral

SMILES string

CC(=O)c1ccc(C)cc1

InChI

1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3

InChI key

GNKZMNRKLCTJAY-UHFFFAOYSA-N

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General description

4′-Methylacetophenone occurs naturally in mango, tomato and orange.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H315

Hazard Classifications

Acute Tox. 4 Oral - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

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

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 aroma constituents of orange.
Macleod AJ, et al
Phytochemistry, 27(7), 2185-2188 (1988)
A novel approach for nontargeted data analysis for metabolomics. Large-scale profiling of tomato fruit volatiles.
Tikunov Y, et al.
Plant Physiology, 139(3), 1125-1137 (2005)
Volatile components from mango (Mangifera indica L.) cultivars.
Pino JA, et al.
Journal of Agricultural and Food Chemistry, 53(6), 2213-2223 (2005)
Koji Uwai et al.
Bioorganic & medicinal chemistry, 16(3), 1084-1089 (2007-11-17)
Stereoselective reductive metabolism of various p-substituted acetophenone derivatives was studied using isolated rat liver 3alpha-hydroxysteroid dehydrogenase (3alpha-HSD). Kinetic experiments were performed and analyzed by measuring the products by HPLC using a chiral column. The results demonstrated that the presence of

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