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329517

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

Name: 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Brand: ALDRICH

98%

Synonym(s):

4-Oxoisophorone, Ketoisophorone

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About This Item

Empirical Formula (Hill Notation):

C₉H₁₂O₂

CAS Number:

1125-21-9

Molecular Weight:

152.19

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24859797

EC Number:

214-406-2

Beilstein/REAXYS Number:

2207030

MDL number:

MFCD00043119

Assay:

98%

Form:

solid

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Properties

Quality Segment

100

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.)

functional group

ketone

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

Description

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.

pictograms

GHS07

signalword

Warning

hcodes

H317

pcodes

P261 - P272 - P280 - P302 + P352 - P333 + P313 - P362 + P364

Hazard Classifications

Skin Sens. 1

Storage Class

10 - Combustible liquids

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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