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Details

Stereochemistry ACHIRAL
Molecular Formula C5H12OS
Molecular Weight 120.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTO-3-METHYL-1-BUTANOL

SMILES

CC(C)(S)CCO

InChI

InChIKey=GBCGIJAYTBMFHI-UHFFFAOYSA-N
InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H12OS
Molecular Weight 120.213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Volatile organic sulfur-containing constituents in Poncirus trifoliata (L.) Raf. (Rutaceae).
2007-05-30
A major urinary protein of the domestic cat regulates the production of felinine, a putative pheromone precursor.
2006-10
Occurrence of polyfunctional thiols in fresh lager beers.
2006-07-12
Influence of human salivary enzymes on odorant concentration changes occurring in vivo. 1. Esters and thiols.
2002-05-22
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:17:33 GMT 2025
Edited
by admin
on Mon Mar 31 19:17:33 GMT 2025
Record UNII
1RF3LN9685
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3854
Preferred Name English
3-MERCAPTO-3-METHYL-1-BUTANOL
FHFI  
Systematic Name English
3-MERCAPTO-3-METHYL-1-BUTANOL [FHFI]
Common Name English
3-MERCAPTO-3-METHYLBUTANOL
Systematic Name English
1-BUTANOL, 3-MERCAPTO-3-METHYL-
Systematic Name English
3-METHYL-3-SULFANYLBUTAN-1-OL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTO-3-METHYL-1-BUTANOL
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
Code System Code Type Description
FDA UNII
1RF3LN9685
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
PRIMARY
WIKIPEDIA
3-Mercapto-3-methylbutan-1-ol
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
PRIMARY
JECFA MONOGRAPH
138
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID50187870
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
PRIMARY
CHEBI
156142
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
PRIMARY
CAS
34300-94-2
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
PRIMARY
PUBCHEM
520682
Created by admin on Mon Mar 31 19:17:33 GMT 2025 , Edited by admin on Mon Mar 31 19:17:33 GMT 2025
PRIMARY