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Key Documents

Safety Information

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:
Molecular Weight:
134.18
FEMA Number:
2677
Beilstein:
606053
EC Number:
Council of Europe no.:
156
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.022
NACRES:
NA.21

biological source

synthetic

Quality Level

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Skin 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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W267708-BULK-K:
W267708-5KG:
W267708-1KG-K:
W267708-25KG-K:
W267708-1KG:
W267708-10KG:
W267708-10KG-K:
W267708-25KG:
W267708-SAMPLE:
W267708-VAR-K:
W267708-SAMPLE-K:
W267708-5KG-K:


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Volatile components from mango (Mangifera indica L.) cultivars.
Pino JA, et al.
Journal of Agricultural and Food Chemistry, 53(6), 2213-2223 (2005)
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)
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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