329517

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

98%

• Synonym(s): 4-Oxoisophorone, Ketoisophorone
• Empirical Formula (Hill Notation): C₉H₁₂O₂
• CAS Number: 1125-21-9
• Molecular Weight: 152.19
• Beilstein: 2207030
• EC Number: 214-406-2
• MDL number: MFCD00043119
• UNSPSC Code: 12352100
• PubChem Substance ID: 24859797
• NACRES: NA.22

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H317
• Precautionary Statements: P280 - P302 + P352
• Hazard Classifications: Skin Sens. 1
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves