MilliporeSigma
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W342106

Sigma-Aldrich

4-Oxoisophorone

≥98%, FG

Synonym(s):
2,6,6-Trimethyl-2-cyclohexene-1,4-dione, 4-Oxoisophorone, Ketoisophorone
Empirical Formula (Hill Notation):
C9H12O2
CAS Number:
Molecular Weight:
152.19
FEMA Number:
3421
Beilstein:
2207030
EC Number:
Council of Europe no.:
11200
MDL number:
PubChem Substance ID:
Flavis number:
7.109
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

assay

≥98%

refractive index

n20/D 1.491 (lit.)

bp

222 °C (lit.)
92-94 °C/11 mmHg (lit.)

mp

26-28 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

musty; woody; sweet

SMILES string

CC1=CC(=O)CC(C)(C)C1=O

InChI

1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

InChI key

AYJXHIDNNLJQDT-UHFFFAOYSA-N

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General description

4-Oxoisophorone is a flavor compound found in tobacco and saffron.

Packaging

100 g in glass bottle
1 kg in glass bottle
5 kg in poly drum

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

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