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ChemicalBook--->CAS DataBase List--->495-62-5

495-62-5

495-62-5 Structure

495-62-5 Structure
IdentificationMore
[Name]

BISABOLENE
[CAS]

495-62-5
[Synonyms]

BISABOLENE
FEMA 3331
2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-2-hepten
4-(1,5-dimethyl-4-hexenylidene)-1-methyl-cyclohexen
4-(1,5-dimethyl-4-hexenylidene)-1-methylcyclohexene
4-(1,5-dimethyl-4-hexenylidene)-1-methyl-Cyclohexene
cyclohexene,4-(1,5-dimethyl-4-hexenylidene)-1-methyl-
gamma-bisabolene
limene
2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-ene
Bisabolene, mixture of isomers
2-Methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-2-heptene
6-Methyl-2-(4-methylcyclohex-3-enyl)hept-1,5-dien
2,6,10-Bisabolatriene
4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-1-cyclohexene
6-(4-Methyl-3-cyclohexenylidene)-2-methyl-2-heptene
[EINECS(EC#)]

207-805-8
[Molecular Formula]

C15H26
[MDL Number]

MFCD00129080
[Molecular Weight]

206.37
[MOL File]

495-62-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

155-157 °C
[density ]

0.89
[FEMA ]

3331
[refractive index ]

1.4940
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Benzene (Slightly), Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

A colourless, slightly viscous oil.
[Odor]

at 100.00 %. balsamic citrus myrrh opoponax spicy
[Odor Type]

fruity
[Water Solubility ]

Soluble in alcohol, water, (0.008994 mg/L @ 25°C (est)).
[Sensitive ]

Air Sensitive
[JECFA Number]

1336
[LogP]

6.70
[CAS DataBase Reference]

495-62-5(CAS DataBase Reference)
[EPA Substance Registry System]

Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl- (495-62-5)
Safety DataBack Directory
[RTECS ]

GW6060000
[TSCA ]

Yes
[HS Code ]

2902.19.0050
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1974).
Hazard InformationBack Directory
[Chemical Properties]

Bisabolene has a pleasant, warm, sweet-spicy-balsamic odor.
[Occurrence]

Reported found in bisabol myrrh, bergamot oil and essential oils of Orthodon asaroniferum, O. methylisoeugenoliferum, O. tenuicaule, Citrus medica var. acida (C. aurantifolia), Cinnomomum kanahirai; Citrus limonia form California; Illicium verum; French lavender (Lavendula vera). Also found in ginger and carrot.
[Uses]

It finds use in artificial oil of bergamot, myrrh and lemon, and is an excellent fixative for neroli bases.
[Definition]

ChEBI: Gamma-bisabolene is a bisabolene.
[Preparation]

Reported isolated from bisabol myrrh; also from nerolidol by dehydration (γ-form).
[Taste threshold values]

Taste characteristics at 30 ppm: citrus, woody, tropical, floral, fruity, astringent and green.
[Metabolism]

The metabolism of monocyclic terpenes involves reduction or hydration of double bonds (Parke, 1968).
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Bisabolene, mixture of isomers(495-62-5)
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