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Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2S
Molecular Weight 204.33
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXYL 3-MERCAPTOBUTANOATE

SMILES

CCCCCCOC(=O)CC(C)S

InChI

InChIKey=HDYQKQAKXIPCAP-UHFFFAOYSA-N
InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
HEXYL 3-MERCAPTOBUTANOATE
FHFI  
Systematic Name English
3-MERCAPTOBUTANOIC ACID HEXYL ESTER
Systematic Name English
HEXYL 3-SULFANYLBUTANOATE
Systematic Name English
(±)-HEXYL 3-MERCAPTOBUTANOATE
Systematic Name English
HEXYL 3-MERCAPTOBUTANOATE, (±)-
Systematic Name English
HEXYL 3-MERCAPTOBUTANOATE [FHFI]
Common Name English
FEMA NO. 4136
Code English
HEXYL 3-MERCAPTOBUTYRATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION HEXYL 3-MERCAPTOBUTANOATE
Created by admin on Fri Dec 15 23:04:23 GMT 2023 , Edited by admin on Fri Dec 15 23:04:23 GMT 2023
Code System Code Type Description
FDA UNII
8YR6WE522M
Created by admin on Fri Dec 15 23:04:23 GMT 2023 , Edited by admin on Fri Dec 15 23:04:23 GMT 2023
PRIMARY
JECFA MONOGRAPH
1691
Created by admin on Fri Dec 15 23:04:23 GMT 2023 , Edited by admin on Fri Dec 15 23:04:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID201000665
Created by admin on Fri Dec 15 23:04:23 GMT 2023 , Edited by admin on Fri Dec 15 23:04:23 GMT 2023
PRIMARY
PUBCHEM
9964407
Created by admin on Fri Dec 15 23:04:23 GMT 2023 , Edited by admin on Fri Dec 15 23:04:23 GMT 2023
PRIMARY
CAS
796857-79-9
Created by admin on Fri Dec 15 23:04:23 GMT 2023 , Edited by admin on Fri Dec 15 23:04:23 GMT 2023
PRIMARY