3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol

Base Information

• Chemical Name: 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol
• CAS No.: 38748-97-9
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.252
• DSSTox Substance ID: DTXSID20959561
• Nikkaji Number: J2.365.742B
• Metabolomics Workbench ID: 47132

Synonyms:beta-Caran-3-ol;alpha-Caran-3-ol;(1R*,3R*,6S*)-3-Caranol;3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol;38748-97-9;3-Caranol;(1S,3S,6R)-(+)-3-Caranol;3-Caraneol;(+)-Caran-3.beta.-ol;SCHEMBL10406348;DTXSID20959561;ZOKKRMIFZVQTTP-UHFFFAOYSA-N;(1S,3R,6R)-(+)-3-Caranol;Bicyclo[4.1.0]heptan-3-ol, 3,7,7-trimethyl-, [1S-(1.alpha.,3.beta.,6.alpha.)]-;3-Caranol, (1S,3S,6R)-(+)-;54631-17-3;Bicyclo[4.1.0]heptan-3-ol, 3,7,7-trimethyl-, (1S,3S,6R)-;3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol-, [1S-(1.alpha.,3.beta.,6.alpha.)]-

Chemical Property of 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol

Chemical Property:

• Vapor Pressure: 0.0684mmHg at 25°C
• Boiling Point: 203.1°Cat760mmHg
• PKA: 15.39±0.40(Predicted)
• Flash Point: 80.8°C
• Density: 0.969g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C2C1CC(CC2)(C)O)C

Technology Process of 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol

There total 3 articles about 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol 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:

2(S)-methyl-5(R)-(2-propenyl)cyclohexan-1(R)-ol (17699-09-1) → (+/-)-4-isopropyl-1-methyl-3-cyclohexen-1-ol (586-82-3) + trans-caran-cis-3-ol (4017-79-2,4017-92-9,38748-97-9,54631-17-3,69500-37-4,69500-38-5,94268-66-3) + neoisothujyl alcohol

Guidance literature:

With abietic acid; In water; at 100 ℃; Product distribution; sealed tube;

Reference yield:

3-carene (13466-78-9,19079-29-9) → cis-carane-4-one (4176-01-6,4176-04-9,13124-69-1,24278-58-8,43124-59-0,43124-60-3,52153-58-9,135559-92-1) + cis-carane-trans-3-ol (4017-79-2,4017-92-9,38748-97-9,54631-17-3,69500-37-4,69500-38-5,94268-66-3) + cis-carane-4-ol (4017-88-3,4017-89-4,4017-93-0,4089-03-6,13494-16-1,14727-72-1,16725-98-7,38748-96-8,52153-60-3,52194-69-1,52486-23-4,54750-08-2,54750-09-3,91422-61-6)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; Yields of byproduct given; Irradiation;

DOI:10.1016/S0040-4020(01)82107-4

Reference yield:

2(S)-methyl-5(R)-(2-propenyl)cyclohexan-1(R)-ol (17699-09-1) → 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + crithmene (99-85-4) + terpin hydrate (80-53-5,89923-77-3) + trans-caran-cis-3-ol (4017-79-2,4017-92-9,38748-97-9,54631-17-3,69500-37-4,69500-38-5,94268-66-3) + neoisothujyl alcohol

Guidance literature:

With benzoic acid; In water; at 100 ℃; Product distribution; sealed tube;

upstream raw materials:

2(S)-methyl-5(R)-(2-propenyl)cyclohexan-1(R)-ol

3-carene

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