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4-(2,4,6-Trimethyl-3-Cyclohexen-1-Yl)-3-Buten-2-One

Aroma Chemical CAS 67801-38-1

A velvety floral note with an orris and violet character and a soft woody ionone facet. Natural and powdery, it adds a floral woodiness to compositions.

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Odor profile

Descriptor 1 Floral
Descriptor 2 Violet
Descriptor 3 Woody

Identification

CAS Number67801-38-1
INCI NameIritone
CategoryAroma Chemical
FormulaC13H20O
Mol. Weight192.30
IUPAC Name(E)-4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one
InChIKeyFETSKTIMHFKZNF-AATRIKPKSA-N

Synonyms

3-buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-, 3-buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-, (3E)-, 3-buten-2-one,4-(2,4,6-trimethyl-4-cyclohexen-1-yl), iritone (IFF), orris butenone, (E)-4-(2,4,6-trimethyl-1-cyclohex-3-enyl)but-3-en-2-one, trimethyl-3-cyclohexenyl-3-butenone, 4-(2,4,6-trimethyl-4-cyclohexen-1-yl)-3-buten-2-one, (3E)-4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one

Physical and chemical data

Boiling Point 276.00 °C
Density 0.91500
Refractive Index 1.49200
Vapor Pressure 0.005000 mmHg @ 25.00 C. (est)
LogP 3.642
Solubility alcohol; water, 11.06 mg/L @ 25 C (est); For experimental / research use only.
Appearance pale yellow clear liquid

Regulatory status

IFRA maximum concentrations

CategoryUseLimit in the finished product
Category 1 Lip products, toys 0.038 %
Category 2 Deodorants, antiperspirants 0.039 %
Category 3 Eye products 0.11 %
Category 4 Fine fragrance 0.73 %
Category 5A Body lotion 0.18 %
Category 5B Face cream 0.038 %
Category 5C Hand cream 0.038 %
Category 5D Baby creams, oils 0.013 %
Category 6 Oral care, mouthwash 0.038 %
Category 7A Rinse-off hair products 0.038 %
Category 7B Leave-on hair products 0.038 %
Category 8 Intimate and baby wipes 0.013 %
Category 9 Soap, shampoo, rinse-off 1.4 %
Category 10A Household care, hand contact 0.038 %
Category 10B Aerosol air fresheners 0.038 %
Category 11A Intended skin contact 0.013 %
Category 11B Minimal skin contact 0.013 %
Category 12 No skin contact, candles 24 %
IFRA Amendment52
Restriction TypeRestriction
Critical EffectDermal Sensitization And Systemic Toxicity

All figures on this page are guide values collected from public reference works and supplier declarations. They differ between batches, origins and qualities. The data sheet of your own supplier is always the authoritative document for the material you actually use.

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