(S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol

Base Information

• Chemical Name: (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol
• CAS No.: 83150-77-0
• Molecular Formula: C₁₀H₁₈S
• Molecular Weight: 170.319
• European Community (EC) Number: 280-196-4
• DSSTox Substance ID: DTXSID501234493
• Nikkaji Number: J269.405K
• Mol file: 83150-77-0.mol

Synonyms:83150-77-0;(S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol;EINECS 280-196-4;SCHEMBL10968270;(-)-(S)-p-Menthen-8-thiol;DTXSID501234493;2-[(1S)-4-methylcyclohex-3-en-1-yl]propane-2-thiol;(1S)-alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanethiol;(S)-alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanethiol;3-Cyclohexene-1-methanethiol, .alpha.,.alpha.,4-trimethyl-,(S)-

Chemical Property of (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol

Chemical Property:

• Vapor Pressure: 0.105mmHg at 25°C
• Boiling Point: 229.4°Cat760mmHg
• Flash Point: 90.7°C
• Density: 0.938g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.11292175
• Heavy Atom Count: 11
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CCC(CC1)C(C)(C)S
• Isomeric SMILES: CC1=CC[C@H](CC1)C(C)(C)S

Technology Process of (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol

There total 15 articles about (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol 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: 92.51%

C11H20N2S → C10H18S (83150-77-0,83150-78-1)

Guidance literature:

With potassium hydroxide; In water; at 25 - 40 ℃; for 1h;

Reference yield: 90.0%

α-terpinyl thiocyanate (133490-04-7) → 2-(4-methylcyclohex-3-enyl)propane-2-thiol (71159-90-5,83150-77-0,83150-78-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 1h;

Reference yield: 85.0%

p-menth-1-ene-8-thiolacetate → 2-(4-methylcyclohex-3-enyl)propane-2-thiol (71159-90-5,83150-77-0,83150-78-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; Solvent; Inert atmosphere;

upstream raw materials:

(-)-α-pinene

terpineol

(1R,5R)-(+)-β-pinene

8,9-epthio-1-p-menthene