W342106

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: 1125-21-9
• Molecular Weight: 152.19
• FEMA Number: 3421
• Beilstein: 2207030
• EC Number: 214-406-2
• Council of Europe no.: 11200
• MDL number: MFCD00043119
• PubChem Substance ID: 24901693
• Flavis number: 7.109
• NACRES: NA.21

Properties

• Quality Level: 400
• 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

Description

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

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H317
• Precautionary Statements: P280 - P302 + P352
• Hazard Classifications: Skin Sens. 1
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves