4-Mercapto-4-methyl-2-pentanol

Base Information

• Chemical Name: 4-Mercapto-4-methyl-2-pentanol
• CAS No.: 31539-84-1
• Molecular Formula: C₆H₁₄OS
• Molecular Weight: 134.243
• Hs Code.: 2930909090
• European Community (EC) Number: 679-102-8
• UNII: TG884YY7A6
• DSSTox Substance ID: DTXSID40953521
• Nikkaji Number: J935.739D
• Wikidata: Q27289951
• Metabolomics Workbench ID: 45466
• Mol file: 31539-84-1.mol

Synonyms:4-mercapto-4-methyl-2-pentanol;31539-84-1;4-methyl-4-sulfanylpentan-2-ol;(+/-)-4-Mercapto-4-methyl-2-pentanol;FEMA no. 4158;4-MERCAPTO-4-METHYLPENTAN-2-OL;2-Pentanol, 4-mercapto-4-methyl-;UNII-TG884YY7A6;TG884YY7A6;4-Mercapto-4-methyl-2-pentanol, (+/-)-;2-Pentanol, 4-mercapto-4-methyl;4-Methyl-4-sulfanyl-pentan-2-ol;(+/-)-4-Mercapto-4-methyl-2-pentanol [FHFI];255391-65-2;SCHEMBL309465;4-methyl-4-sulanylpentan-2-ol;DTXSID40953521;CHEBI:193635;4-mercapto-4-methyl pentan-2-ol;MFCD10688294;AKOS006281387;()-4-MERCAPTO-4-METHYL-2-PENTANOL;4-mercapto-4-methylpentan-2-ol, AldrichCPR;Q27289951

Chemical Property of 4-Mercapto-4-methyl-2-pentanol

Chemical Property:

• Vapor Pressure: 0.0953mmHg at 25°C
• Refractive Index: 1.473
• Boiling Point: 197.6°Cat760mmHg
• Flash Point: 73.3°C
• PSA: 59.03000
• Density: 0.961g/cm³
• LogP: 1.46570
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 134.07653624
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

99%min ^*data from raw suppliers

4-Mercapto-4-methyl-2-pentanol, 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)(C)S)O

Technology Process of 4-Mercapto-4-methyl-2-pentanol

There total 4 articles about 4-Mercapto-4-methyl-2-pentanol 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:

4-mercapto-4-methylpent-2-yl acetate (50746-11-7) → 4-mercapto-4-methylpentan-2-ol (66221-60-1,31539-84-1,255391-65-2)

Guidance literature:

With hydrogenchloride; In methanol; diethyl ether;

Reference yield:

4-methyl-pent-3-en-2-one (141-79-7) → 4-mercapto-4-methylpentan-2-ol (66221-60-1,31539-84-1,255391-65-2)

Guidance literature:

With lithium aluminium tetrahydride; tiolacetic acid; Yield given. Multistep reaction;

DOI:10.1016/S0040-4039(97)10757-2

Reference yield:

2-methyl-4-oxopentan-2-yl ethanethioate (31539-83-0) → 4-mercapto-4-methylpentan-2-ol (66221-60-1,31539-84-1,255391-65-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/ja00732a021

upstream raw materials:

2-methyl-4-oxopentan-2-yl ethanethioate

4-methyl-pent-3-en-2-one

4-mercapto-4-methylpent-2-yl acetate

Downstream raw materials:

cis-2-benzoyl-4,6,6-trimethyl-1,3-oxathiane

Refernces

• 1、 King, J. F.,Rathore, Rajenda. "AN EASY PREPARATION OF SIMPLE SULTINES AND HYDROXYALKANESULFINATE SALTS". . p. 2763 - 2766. Retrieved 2007/10/02.