Key Documents

View All Documentation

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

Select a Size

Change View

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

Technical Service

Need help? Our team of experienced scientists is here for you.

Let Us Assist

Properties

Quality Level

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

P280 - P302 + P352

Hazard Classifications

Skin Sens. 1

Storage Class

10 - Combustible liquids

wgk

WGK 1

ppe

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Worldwide market screening of saffron volatile composition.

Maggi L, et al.

Journal of the Science of Food and Agriculture, 89(11), 1950-1954 (2011)

Description of volatile compounds generated by the degradation of carotenoids in paprika, tomato and marigold oleoresins.

Rios JJ, et al.

Food Chemistry, 106(3), 1145-1153 (2008)

Ketoisophorone transformation by Marchantia polymorpha and Nicotiana tabacum cultured cells.

Mohamed-Elamir F Hegazy et al.

Zeitschrift fur Naturforschung. C, Journal of biosciences, 63(5-6), 403-408 (2008-08-02)

Stereospecific olefin (C=C) and carbonyl (C=O) reduction of the readily available prochiral compound ketoisophorone (2,2,6-trimethyl-2-cyclohexene-1,4-dione) (1) by Marchantia polymorpha and Nicotiana tabacum cell suspension cultures produce the chiral products (6R)-levodione (2), (4R,5S)-4-hydroxy-3,3,5-trimethylcyclohexanone (3), and (4R,6R)-actinol (4) as well as the

View All Related Papers

Global Trade Item Number

SKU	GTIN
329517-25G	04061826720103