Carane

Base Information

• Chemical Name: Carane
• CAS No.: 554-59-6
• Molecular Formula: C10H18
• Molecular Weight: 138.253
• DSSTox Substance ID: DTXSID10858852
• Nikkaji Number: J14.266B
• Wikidata: Q27116560
• Metabolomics Workbench ID: 55186
• Mol file: 554-59-6.mol

Synonyms:(-)-cis-carane;carane;carane, (1alpha,3alpha,6alpha)-isomer;carane, (1alpha,3beta,6alpha)-isomer;carane, (1S-(1alpha,3alpha,6alpha))-isomer;carane, (1S-(1alpha,3beta,6alpha))-isomer

Chemical Property of Carane

Chemical Property:

• Vapor Pressure: 2.09mmHg at 25°C
• Boiling Point: 169°C at 760 mmHg
• Flash Point: 36°C
• PSA: 0.00000
• Density: 0.844g/cm³
• LogP: 3.07860
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 138.140850574
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C1)C2(C)C

Technology Process of Carane

There total 5 articles about Carane 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: 27.1%

3,7,7-trimethyl-cyclohepta-1,3,5-triene (3479-89-8) → 1,4,4-trimethylcycloheptane (2158-55-6) + 2-carene (554-61-0) + 1,5,5-trimethylcycloheptene (7348-54-1) + 1,4,4-trimethylcycloheptene (4755-36-6) + carane (554-59-6) + 3-carene (13466-78-9,19079-29-9)

Guidance literature:

With hydrogen; platinum; In hexane; at 20 - 22 ℃; Product distribution; various amounts of hydrogen;

DOI:10.1007/BF00575696

Reference yield:

D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → Terpinolene (586-62-9,69073-38-7) + carvacrol (499-75-2) + methyl-cyclopentane (96-37-7) + 1-methyl-3-(2-methylpropyl)cyclopentane (29053-04-1) + 1-methyl-3-(1-methylethylidene)cyclohexane (13828-34-7) + 1-Methyl-3-propylbenzene (1074-43-7) + carane (554-59-6) + C10H18

Guidance literature:

With palm oil; palladium-nickel on zeolite HZSM-5 (SiO₂/Al₂O₃ ratio: 197); at 280 ℃; for 2h; under 6000.6 Torr; Autoclave; Inert atmosphere;

DOI:10.1039/c5cc06601h

Reference yield:

D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → p-menth-1-ene (61585-35-1,5502-88-5,34363-01-4) + Terpinolene (586-62-9,69073-38-7) + carvacrol (499-75-2) + methyl-cyclopentane (96-37-7) + 1,3-dimethylcyclopentane (2453-00-1) + 1-methyl-3-(2-methylpropyl)cyclopentane (29053-04-1) + 1-Methyl-3-propylbenzene (1074-43-7) + 5,6,7,8-tetrahydrocadalene (1460-96-4,95841-58-0) + calamenene (6617-49-8) + carane (554-59-6) + methyl cyclohexane (82166-21-0)

Guidance literature:

With stearic acid; at 280 ℃; under 6000.6 Torr; Autoclave; Inert atmosphere;

DOI:10.1039/c5cc06601h

upstream raw materials:

3,7,7-trimethyl-cyclohepta-1,3,5-triene

8,8-Diiodo-2,6-dimethyl-2-octene

D-limonene

3-carene

Downstream raw materials:

Menthane

4-methylisopropylbenzene

p-4⁽⁸⁾-menthene

1-methyl-3-(1-methylethylidene)cyclohexane