ChemicalBook--->CAS DataBase List--->515-69-5

515-69-5

515-69-5 Structure

515-69-5 Structure
IdentificationMore
[Name]

alpha-Bisabolol
[CAS]

515-69-5
[Synonyms]

6-METHYL-2-(4-METHYL-3-CYCLOHEXEN-1-YL)-5-HEPTEN-2-OL
alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol
(+/-)-ALPHA-BISABOLOL
ALPHA-BISABOLOL
BISABOLOL
(R*,R*)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol
(R*,R*)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol
.alpha.-4-Dimethyl-.alpha.-(4-methyl-3-pentenyl)-3-cyclohexaene-1-methanol
1-methyl-4-(1-hydroxy-1,5,5-trimethyl-4-pentenyl)cyclohex-1-ene
3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (R*,R*)-
3-cyclohexene-1-methanol,alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-,(r*,
5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-
6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-o
6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepteno
alpha-Bisabalol
alpha-bisabolool
Camilol
dl-alpha-bisabolol
theta)-t
(R*,R*)-alpha-4-Dimethyl-alpha-(4-methyl-3-petenyl)-3-cyclohexene-1-methanol
[EINECS(EC#)]

208-205-9
[Molecular Formula]

C15H26O
[MDL Number]

MFCD03846910
[Molecular Weight]

222.37
[MOL File]

515-69-5.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to faintly yellow viscous liquid
[Melting point ]

25°C
[Boiling point ]

154-156°C
[density ]

0.93 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.496
[Fp ]

135°C
[storage temp. ]

Refrigerator
[solubility ]

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

Liquid
[pka]

15.04±0.29(Predicted)
[color ]

Clear Colourless
[Odor]

at 100.00 %. mild floral peppery balsamic clean
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Odor Type]

floral
[Water Solubility ]

Soluble in alcohol, natural, mineral and synthetic oils. Insoluble in water.
[Merck ]

14,1241
[BRN ]

5733954
[Cosmetics Ingredients Functions]

FRAGRANCE
SKIN CONDITIONING
SOOTHING
[LogP]

5.63
[Uses]

bisabolol is a botanical used for its anti-inflammatory and soothing properties. It is derived from chamomile and/or yarrow.
[CAS DataBase Reference]

515-69-5(CAS DataBase Reference)
[NIST Chemistry Reference]

«ALPHA»-bisabolol(515-69-5)
[EPA Substance Registry System]

515-69-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H411-H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[Risk Statements ]

R33:Danger of cumulative effects.
[WGK Germany ]

2
[RTECS ]

MJ9685000
[F ]

10-23
[TSCA ]

Yes
[HS Code ]

29061900
[Toxicity]

LD50 orl-rat: 14,850 mg/kg ARZNAD 19,615,69
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol(515-69-5).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless to faintly yellow viscous liquid
[Definition]

ChEBI: (+)-alpha-Bisabolol is a sesquiterpenoid.
[Preparation]

Via Nerolidol plus glacial Acetic acid with Sulfuric acid to yield Bisabolol acetate, Saponification of that ester yields alpha-Bisabolol.
[Production Methods]

rac-Bisabolol is produced by acid-catalyzed cyclization of farnesol or nerolidol. The individual enantiomers are obtained by extraction from the appropriate plants.
[Safety Profile]

Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating vapors.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

alpha-Bisabolol(515-69-5)MS
alpha-Bisabolol(515-69-5)1HNMR
alpha-Bisabolol(515-69-5)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

alpha-Bisabolol, 96%(515-69-5)
[Sigma Aldrich]

515-69-5(sigmaaldrich)
[TCI AMERICA]

(+/-)-alpha-Bisabolol,>75.0%(GC)(515-69-5)
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