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Substance Name: Bisabolol
RN: 515-69-5
UNII: 36HQN158VC
InChIKey: RGZSQWQPBWRIAQ-LSDHHAIUSA-N
Note
- Monocyclic sesquiterpene alcohol with strong bacteriocidal effects, especilly against M. Tuberc.; isolated from seed plant Populus tacamacaha.
Molecular Formula
- C15-H26-O
Molecular Weight
- 222.3694
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-
- alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol
- Bisabolol
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
- EINECS 208-205-9
- EINECS 246-973-7
- UNII-36HQN158VC
Systematic Names
- (R*,R*)-(1)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol
- (R*,R*)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol
- 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-penten-1-yl)-, (alphaR,1R)-rel-
- 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (alphaR,1R)-rel-
- 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (R*,R*)- (9CI)
- 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (theta,theta)-(+/-)-
- 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-
Registry Numbers
CAS Registry Number
- 515-69-5
FDA UNII
- 36HQN158VC
Other Registry Numbers
- 21090-60-8
- 25428-43-7
- 63601-23-0
- 67375-41-1
System Generated Number
- 0000515695
Structure Descriptors
InChI
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1InChIKey
RGZSQWQPBWRIAQ-LSDHHAIUSA-NSmiles
CC(=CCC[C@@](C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 633mg/kg (633mg/kg) | BEHAVIORAL: TREMOR SKIN AND APPENDAGES (SKIN): HAIR: OTHER LUNGS, THORAX, OR RESPIRATION: DYSPNEA | International Journal of Toxicology. Vol. 18(Suppl, |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | International Journal of Toxicology. Vol. 18(Suppl, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | < 25 | deg C | EXP | |
| log P (octanol-water) | 5.630 | (none) | EST | |
| Atmospheric OH Rate Constant | 1.95E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.