MilliporeSigma
All Photos(1)

329517

Sigma-Aldrich

2,6,6-Trimethyl-2-cyclohexene-1,4-dione

98%

Synonym(s):
4-Oxoisophorone, Ketoisophorone
Empirical Formula (Hill Notation):
C9H12O2
CAS Number:
Molecular Weight:
152.19
Beilstein:
2207030
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

solid

refractive index

n20/D 1.491 (lit.)

bp

222 °C (lit.)
92-94 °C/11 mmHg (lit.)

mp

26-28 °C (lit.)

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

2,6,6-Trimethyl-2-cyclohexene-1,4-dione is also known as 4-ketoisophorone and is the major component of saffron spice. It is a cyclic olefin and was reported as a product of the thermal degradation of β-carotene in aqueous suspension.

Packaging

25 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Skin Sens. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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