U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C9H18O2S
Molecular Weight 190.303
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTOHEPTYL ACETATE

SMILES

CCCCC(S)CCOC(C)=O

InChI

InChIKey=JWESHEXXXWDVAQ-UHFFFAOYSA-N
InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-MERCAPTOHEPTYL ACETATE
FHFI  
Systematic Name English
3-MERCAPTOHEPTYL ACETATE [FHFI]
Common Name English
1-HEPTANOL, 3-MERCAPTO-, 1-ACETATE
Common Name English
FEMA NO. 4289
Code English
1,3-HEPTANEDITHIOL, 1-ACETATE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTOHEPTYL ACETATE
Created by admin on Fri Dec 15 20:17:49 GMT 2023 , Edited by admin on Fri Dec 15 20:17:49 GMT 2023
Code System Code Type Description
PUBCHEM
6430879
Created by admin on Fri Dec 15 20:17:49 GMT 2023 , Edited by admin on Fri Dec 15 20:17:49 GMT 2023
PRIMARY
CAS
548774-80-7
Created by admin on Fri Dec 15 20:17:49 GMT 2023 , Edited by admin on Fri Dec 15 20:17:49 GMT 2023
PRIMARY
FDA UNII
4DR80W0YR1
Created by admin on Fri Dec 15 20:17:49 GMT 2023 , Edited by admin on Fri Dec 15 20:17:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID40970213
Created by admin on Fri Dec 15 20:17:49 GMT 2023 , Edited by admin on Fri Dec 15 20:17:49 GMT 2023
PRIMARY
JECFA MONOGRAPH
1695
Created by admin on Fri Dec 15 20:17:49 GMT 2023 , Edited by admin on Fri Dec 15 20:17:49 GMT 2023
PRIMARY