Basic information
- CAS
489-86-1- Standard SMILES
C[C@@H]1CC[C@H](C(C)(C)O)CC2=C1CC[C@H]2C- InChIKey
TWVJWDMOZJXUID-UTUOFQBUSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Names & identifiers
- Preferred name
- 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))-
- IUPAC
- 2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
- English name
- (-)-GUAIOL
- Molecular formula
- C15H26O
- Molecular weight
- 222.37
Names & synonyms
5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-RefChem:5325255-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))-2-[(3r,5s,8r)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol.alpha.-Guaiol[3R,(+)]-1,2,3,4,5,6,7,8-Octahydro-alpha,alpha,3beta,8beta-tetramethyl-5beta-azulenemethanol18680-83-62-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydro-5-azulenyl)-2-propanol #SCHEMBL16207769TWVJWDMOZJXUID-UTUOFQBUSA-NGUAIOLGualol
Show more names
ChampacolChampaeolNsc 19941GUAIOL(RG)(-)-GUAIOL(?)-Guaiol(-)-GUAIOLGuaiac alcohol
Properties
Computed structural properties
- XLogP
- 3.1
- 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
Physicochemical properties
- Melting point
- 91 · 91-93 °C(lit.)
- Boiling point
- 132 · 132-136℃
- alpha
- 20 · D20 -30° (c = 4 in alc)
- Density
- 0.9714 g/cm3 · 0.9714 g/cm3 (20℃)
- refractive index
- 1.51 · 1.5100 (589.3 nm 20℃)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Dichloromethane (Sparingly), Ethanol (Slightly), Methanol
- form
- Solid
- pka
- 15.11 · 15.11±0.29(Predicted)
- color
- White to Off-White
- Odor
- 100 % · at 100.00 %. mild guaiacwood tea rose
- Odor Type
- woody
- optical activity
- 20 · [α]20/D 28°, c = 4 in ethanol
- Merck
- 13 · 13,4572
- BRN
- 2047993 · 2047993
- Major Application
- food and beverages
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 InformationChemical: 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesGuaiol is a component of guaiac wood oil, terpenol also found in cannabis.
General Description(-)-Guaiol is a sesquiterpene alcohol which has guaiane skeleton. It naturally occurs in essential oils extracted from Salvia lanigera and Helitta ongifoliata and has antibacterial activity.
Suppliers89 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Related reactions
0 records
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Compound notes
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