alpha-Bisabolol

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Names

[ CAS No. ]:
515-69-5

[ Name ]:
alpha-Bisabolol

[Synonym ]:
MFCD03846910
rel-(2R)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-
)-α-Bisabolol
a-Bisabolol
α-Bisabolol
3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (αR,1R)-rel-
dl-a-Bisabolol
(+/-)-α-Bisabolol
(2R)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol
EINECS 208-205-9
(2R)-6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol
Dragosantol
(R*,R*)-6-Dethyl-2-(4-methyl-3-cyclohexen-1-yl)-5-Hepten-2-ol
(±)-a-Bisabolol

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
314.5±11.0 °C at 760 mmHg

[ Molecular Formula ]:
C15H26O

[ Molecular Weight ]:
222.366

[ Flash Point ]:
113.2±15.6 °C

[ Exact Mass ]:
222.198364

[ PSA ]:
20.23000

[ LogP ]:
5.07

[ Vapour Pressure ]:
0.0±1.5 mmHg at 25°C

[ Index of Refraction ]:
1.494

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ9685000
CHEMICAL NAME :
5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-
CAS REGISTRY NUMBER :
515-69-5
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H26-O
MOLECULAR WEIGHT :
222.41
WISWESSER LINE NOTATION :
L6UTJ A1 DXQ1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14850 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,615,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,615,1969 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1661 No. of Facilities: 357 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 3923 (estimated) No. of Female Employees: 2853 (estimated)

Safety Information

[ Risk Phrases ]:
R33

[ RIDADR ]:
3439.0

[ WGK Germany ]:
2

[ RTECS ]:
MJ9685000

[ Hazard Class ]:
6.1

[ HS Code ]:
29061900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formic Acid
  • Nerolidol
  • 4-methyl-1,3-pentadiene
  • 1-(4-Methylcyclohex-3-en-1-yl)ethanone
  • 5-methyl-1-(4-methylcyclohex-3-en-1-yl)hex-4-en-1-one
  • METHYLMAGNESIUM BROMIDE
  • 1-(2,6-dimethyl-3,4-dihydro-2H-pyran-2-yl)-ethanone
  • Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-
  • 1-(2,6-Dimethyl-3,4-dihydro-2H-pyran-2-yl)-2-diazo-1-ethanone

DownStream

  • 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-3-ene-2,6-diol
  • 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-ene-2,5-diol

Customs

[ HS Code ]: 29061900

Related Compounds

  • alpha-(3,3'-Dimethoxy-4-biphenylyl)-1-piperidinepropanol hydrochloride
  • alpha-L-Galactopyranoside, 2-propenyl (9CI)
  • alpha-(4-Biphenylyl)-1-piperidinepropanol hydrochloride
  • alpha-(3-Biphenylyl)-1-piperidinepropanol hydrochloride
  • alpha-(4'-Amino-4-biphenylyl)-1-piperidinepropanol hydrochloride
  • alpha-(4-Biphenylyl)-beta,beta-dimethyl-1-piperidinepropanol hydrochloride