trans-Carane

Base Information

• Chemical Name: trans-Carane
• CAS No.: 18968-23-5
• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.253
• DSSTox Substance ID: DTXSID90881209
• Nikkaji Number: J411.087K
• Wikidata: Q82862318

Synonyms:trans-Carane;Carane, trans-;3,7,7-Trimethylbicyclo[4.1.0]heptane #;DTXSID90881209;BWRHOYDPVJPXMF-XHNCKOQMSA-N;18968-23-5;NS00096297;Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1.beta.,3.beta.,6.beta.)-;Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-;Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1.alpha.,3.alpha.,6.alpha.)-

Chemical Property of trans-Carane

Chemical Property:

• Refractive Index: 1.455
• Boiling Point: 188.7°C (rough estimate)
• Density: 0.8910 (rough estimate)
• 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:

Useful:

• Canonical SMILES: CC1CCC2C(C1)C2(C)C
• Isomeric SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C2(C)C

Technology Process of trans-Carane

There total 1 articles about trans-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:

3-carene (13466-78-9,19079-29-9) → 1-methyl-4-isopropenylbenzene (1195-32-0) + 3,7,7-trimethyl-cyclohepta-1,3,5-triene (3479-89-8) + 2-(3-methylphenyl)propene (1124-20-5) + trans-Carane (554-59-6,2778-68-9,6069-97-2,18968-23-5,18968-24-6,83572-76-3,103239-63-0)

Guidance literature:

platinum on activated charcoal; at 180 - 200 ℃; Further byproducts given. Title compound not separated from byproducts; incomplete reaction;

DOI:10.1007/BF00577217

Reference yield:

cis-Carane (554-59-6,2778-68-9,6069-97-2,18968-23-5,18968-24-6,83572-76-3,103239-63-0) → p-4(8)-menthene (1124-27-2) + 1-methyl-3-(1-methylethylidene)cyclohexane (13828-34-7) + 3-p-menthene (500-00-5)

Guidance literature:

zeolite Tseokar-2; at 100 ℃; for 4h; Yield given;

Reference yield:

trans-Carane (554-59-6,2778-68-9,6069-97-2,18968-23-5,18968-24-6,83572-76-3,103239-63-0) → p-4(8)-menthene (1124-27-2) + trans-8-p-menthene (1124-25-0) + 1-methyl-3-(1-methylethylidene)cyclohexane (13828-34-7) + m-2-menthene (13828-32-5) + m-3-menthene (13828-33-6) + 3-p-menthene (500-00-5)

Guidance literature:

zeolite Tseokar-2; at 80 ℃; for 5h; Product distribution; various catalysts, temperature and time;

upstream raw materials:

3-carene

Downstream raw materials:

p-4⁽⁸⁾-menthene

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

3-p-menthene

cis-m-Menthane

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