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Α-Thujone

Aroma Chemical CAS 546-80-5

A fresh herbal note with a cedar leaf character and a soft thujone facet.

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Odor profile

Descriptor 1 Herbal
Descriptor 2 Pine
Descriptor 3 Fruity

Identification

CAS Number546-80-5
INCI NameIsopropyl-methylbicyclohexanone
CategoryAroma Chemical
FormulaC10H16O
Mol. Weight152.23
IUPAC Name(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
InChIKeyUSMNOWBWPHYOEA-MRTMQBJTSA-N

Synonyms

bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-, bicyclo[3.1.0]hexan-3-one, 4-methyl-1- (1-methylethyl)-, [1S-(1a,4a,5a)]-, bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-, (1S-1-alpha, 4-alpha,5-alpha)-4-methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-one, (1S,4R,5R)-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one, [1S-(1a,4a,5a)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one, (1S,4R,5R)-4-1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one, (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one, iso propyl methyl bicyclohexanone, (1S,4R)-1-iso propyl-4-methyl bicyclo(3.1.0)hexan-3-one, (Z+E)-1-iso propyl-4-methyl bicyclo(3.1.0)hexan-3-one, (1S,4R,5R)-1-iso propyl-4-methylbicyclo[3.1.0]hexan-3-one, (1S,4R)-1-iso propyl-4-methylbicyclo[3.1.0]hexan-3-one, (1S,4R,5R)-thujan-3-one, (-)-3-thujanone, (1S,4R,5R)-(-)-3-thujanone, 3-thujanone, (-)-, 3-thujanone, (1S,4R,5R)-(-)-, (-)-3-iso thujone, (-)-a-thujone, (-)-alpha-thujone, (-)-iso thujone, a-thujone, a-(-)-thujone, alpha-thujone, L-thujone, laevo-thujone, (-)-thujone

Physical and chemical data

Boiling Point 200.00 °C
Flash Point 63.89 °C
Density 0.91400
Refractive Index 1.45000
Vapor Pressure 0.323000 mmHg @ 25.00 C. (est)
LogP 2.044
Solubility alcohol; water, 407.7 mg/L @ 25 C (est); For experimental / research use only.
Appearance colorless to pale yellow clear liquid

Regulatory status

IFRA maximum concentrations

CategoryUseLimit in the finished product
Category 1 Lip products, toys 0.11 %
Category 2 Deodorants, antiperspirants 0.21 %
Category 3 Eye products 0.032 %
Category 4 Fine fragrance 1.4 %
Category 5A Body lotion 0.095 %
Category 5B Face cream 0.032 %
Category 5C Hand cream 0.016 %
Category 5D Baby creams, oils 0.0053 %
Category 6 Oral care, mouthwash 0.095 %
Category 7A Rinse-off hair products 0.24 %
Category 7B Leave-on hair products 0.24 %
Category 8 Intimate and baby wipes 0.0053 %
Category 9 Soap, shampoo, rinse-off 0.13 %
Category 10A Household care, hand contact 0.13 %
Category 10B Aerosol air fresheners 0.22 %
Category 11A Intended skin contact 0.0053 %
Category 11B Minimal skin contact 0.0053 %
Category 12 No skin contact, candles 9.5 %
IFRA Amendment49
Restriction TypeRestriction
Critical EffectNeurotoxicity

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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