Bulnesol

Base Information

Chemical Name:Bulnesol
CAS No.:22451-73-6
Molecular Formula:C15H26 O
Molecular Weight:222.371
Hs Code.:2906299090
DSSTox Substance ID:DTXSID9052472
Nikkaji Number:J133.567G
Wikidata:Q67879762
Metabolomics Workbench ID:47355

Synonyms:Bulnesol;Guai-1(10)-en-11-ol;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-;Bullnesol;2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol;SCHEMBL6511521;2-(3,8-Dimethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulenyl)-2-propanol #;DTXSID9052472;LGOFSGDSFQNIAT-UHFFFAOYSA-N;5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-alpha,alpha,3,8-tetramethyl-, (3S,3aS,5R)-;5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, (3S,3aS,5R)-;FT-0777865;Q67879762

Suppliers and Price of Bulnesol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Bulnesol(~85%)
1mg
$ 315.00

Total 7 raw suppliers

Chemical Property of Bulnesol

Chemical Property:

Vapor Pressure:4.26E-05mmHg at 25°C
Melting Point:69-70 °C
Boiling Point:313.6°Cat760mmHg
PKA:15.10±0.29(Predicted)
Flash Point:115.4°C
PSA：20.23000
Density:0.96g/cm³
LogP:3.92000
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Dichloromethane (Sparingly), Methanol (Slightly)
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:222.198365449
Heavy Atom Count:16
Complexity:301

Purity/Quality:

99% ^*data from raw suppliers

Bulnesol(~85%) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2=C(CCC(CC12)C(C)(C)O)C
Uses Bulnesol is a component of guaiac wood oil, terpenol also found in cannabis.

Technology Process of Bulnesol

There total 7 articles about Bulnesol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

: 75-16-1
methylmagnesium bromide

: 5α-acetyl-2,8α-dimethyl-7β-H-bicyclo<5.3.0>deca-1-ene

: 1637-87-2,22451-73-6,23516-42-9,49832-06-6,55255-90-8
DL-Bulnesol

Guidance literature:: In tetrahydrofuran; at -78 - 0 ℃;
DOI:10.1021/ja00076a037

Reference yield:

: 2-(3,8-Dimethyl-1,2,3,3a,4,5,6,7-octahydro-azulen-5-yl)-2-methyl-[1,3]dioxolane

: 1637-87-2,22451-73-6,23516-42-9,49832-06-6,55255-90-8
DL-Bulnesol

Guidance literature:: Multi-step reaction with 2 steps

1: 5percent HCl, SiO₂ / CH₂Cl₂

2: 94 percent / tetrahydrofuran / -78 - 0 °C

With hydrogenchloride; silica gel; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ja00076a037

Reference yield:

: 2,8-dimethyl-7-H-5-(2-methyldioxolan-2-yl)bicyclo<5.3.0>deca-1,9-diene

: 1637-87-2,22451-73-6,23516-42-9,49832-06-6,55255-90-8
DL-Bulnesol

Guidance literature:: Multi-step reaction with 3 steps

1: H₂, (PPh₃)3RhCl / benzene / 760 Torr

2: 5percent HCl, SiO₂ / CH₂Cl₂

3: 94 percent / tetrahydrofuran / -78 - 0 °C

With hydrogenchloride; Wilkinson's catalyst; hydrogen; silica gel; In tetrahydrofuran; dichloromethane; benzene;
DOI:10.1021/ja00076a037