cis-Abienol

Base Information

• Chemical Name: cis-Abienol
• CAS No.: 17990-16-8
• Molecular Formula: C₂₀H₃₄O
• Molecular Weight: 290.489
• European Community (EC) Number: 863-116-8
• UNII: 77970B04CL
• DSSTox Substance ID: DTXSID301035611
• Nikkaji Number: J460.280C
• Wikidata: Q27137053
• Metabolomics Workbench ID: 65130
• Mol file: 17990-16-8.mol

Synonyms:9H-(labda-12,14-dien-8-ol);abienol;abienol, (1R-(1alpha(E),2beta,4abeta,8aalpha))-isomer;abienol, (1R-(1alpha(Z),2beta,4abeta,8aalpha))-isomer;abienol, (1R-(1alpha,2beta,4abeta,8aalpha))-isomer;cis-abienol

Chemical Property of cis-Abienol

Chemical Property:

• Vapor Pressure: 5.59E-07mmHg at 25°C
• Boiling Point: 369.9°Cat760mmHg
• Flash Point: 161.9°C
• PSA: 20.23000
• Density: 0.91g/cm³
• LogP: 5.50240
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 290.260965704
• Heavy Atom Count: 21
• Complexity: 433

Purity/Quality:

99%, ^*data from raw suppliers

(+)-cis-Abienol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C
• Isomeric SMILES: C/C(=C/C[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)/C=C
• Uses: (+)-cis-Abienol is used in the synthesis of diols as well as in products requiring flavors or fragrances.

Technology Process of cis-Abienol

There total 2 articles about cis-Abienol 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:

→ trans-Abienol (1616-86-0,17990-15-7,17990-16-8,95560-32-0,148153-68-8)

Guidance literature:

aus Acetatgemisch(IIb,IIIb), LiAlH4;

Reference yield:

→ cis-Abienol (1616-86-0,17990-15-7,17990-16-8,95560-32-0,148153-68-8)

Guidance literature:

Isomerisierung v. trans-Abienol;

Reference yield: 85.0%

(+)-abienol (1616-86-0,17990-15-7,17990-16-8,95560-32-0,148153-68-8) → (3aR)-(+)-sclareolide (564-20-5,1216-84-8,30450-17-0,58976-28-6,64090-92-2,67844-42-2,79768-41-5,79768-42-6,86688-27-9,86688-28-0,95406-08-9,98719-44-9,98719-46-1,131831-65-7,140851-80-5)

Guidance literature:

With sodium periodate; osmium(VIII) oxide; In water; tert-butyl alcohol; for 480h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89693-9

Downstream raw materials:

8a-hydroxy-13,14,15,16-tetranorlabdan-12-oic acid

(3aR)-(+)-sclareolide