Basic information
- CAS
22451-73-6- Standard SMILES
CC1=C2CCC(C)C2CC(C(C)(C)O)CC1- InChIKey
LGOFSGDSFQNIAT-UHFFFAOYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
bulnesol has been reported in Cymbopogon schoenanthus, Piper guineense, and other organisms with data available.
Names & identifiers
- Preferred name
- Bulnesol
- IUPAC
- 2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol
- English name
- 5-Azulenemethanol,1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-,[3S-
- Molecular formula
- C15H26O
- Molecular weight
- 222.37
Names & synonyms
Bulnesol2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-alpha,alpha,3,8-tetramethyl-, (3S,3aS,5R)-DTXSID4051873RefChem:532523DTXCID703043222451-73-6Guai-1(10)-en-11-ol73003-40-45-Azulenemethanol, 1,2,3,3a,4,5,6,7(or 1,2,3,4,5,6,7,8)-octahydro-.alpha.,.alpha.,3,8-tetramethyl-BullnesolSCHEMBL6511521
Show more names
(+)-BulnesolNIST22451-73-6Bulnesol (~85%)bulnesol,guai-1(10)-en-11-ol(3S)-1,2,3,3aβ,4,5,6,7-Octahydro-α,α,3,8-tetramethyl-5α-azulenemethanol(3S,3as,5R)-1,2,3,3A,4,5,6,7-octahydro-α,α,3,8-tetramethyl-5-Azulenemethanol5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-α,α,3,8-tetramethyl-, (3S,3aS,5R)-5-Azulenemethanol,1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-,[3S-
2-(3,8-Dimethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulenyl)-2-propanol #DTXSID90524725-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, (3S,3aS,5R)-G89002Q67879762
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Boiling Point136.00 to 138.00 °C. @ 760.00 mm Hg
Melting Point69 - 70 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 136 · 136-138 °C(Press: 4 Torr)
- Density
- 0.9389 g/cm3 · 0.9389 g/cm3(Temp: 70 °C)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Dichloromethane (Sparingly), Methanol (Slightly)
- pka
- 15.1 · 15.10±0.29(Predicted)
- form
- Solid
- color
- White to Off-White
- Odor
- 100 % · at 100.00 %. spicy
- Odor Type
- spicy
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,3a.beta.,5.alpha.)]-
Chemical: 5-Azulenemethanol, 1,2,3,3a,4,5,6,7(or 1,2,3,4,5,6,7,8)-octahydro-.alpha.,.alpha.,3,8-tetramethyl-
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing Information
5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, (3S,3aS,5R)-: ACTIVE
5-Azulenemethanol, 1,2,3,3a,4,5,6,7(or 1,2,3,4,5,6,7,8)-octahydro-.alpha.,.alpha.,3,8-tetramethyl-: ACTIVE
Applications
UsesBulnesol is a component of guaiac wood oil, terpenol also found in cannabis.
Suppliers16 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Shaanxi Didu New Materials Co. Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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