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

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:38:10 UTC 2023
Edited
by admin
on Fri Dec 15 18:38:10 UTC 2023
Record UNII
1RF3LN9685
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
FEMA NO. 3854
Code 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 Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
Code System Code Type Description
FDA UNII
1RF3LN9685
Created by admin on Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
PRIMARY
WIKIPEDIA
3-Mercapto-3-methylbutan-1-ol
Created by admin on Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
PRIMARY
JECFA MONOGRAPH
138
Created by admin on Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID50187870
Created by admin on Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
PRIMARY
CHEBI
156142
Created by admin on Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
PRIMARY
CAS
34300-94-2
Created by admin on Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
PRIMARY
PUBCHEM
520682
Created by admin on Fri Dec 15 18:38:10 UTC 2023 , Edited by admin on Fri Dec 15 18:38:10 UTC 2023
PRIMARY