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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-(METHYLTHIO)HEXYL ACETATE

SMILES

CCCC(CCOC(C)=O)SC

InChI

InChIKey=VIQXICKUKPVFRK-UHFFFAOYSA-N
InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H18O2S
Molecular Weight 190.303
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:09:12 GMT 2023
Edited
by admin
on Fri Dec 15 21:09:12 GMT 2023
Record UNII
0GEW9KKA0D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(METHYLTHIO)HEXYL ACETATE
Systematic Name English
1-HEXANOL, 3-(METHYLTHIO)-, 1-ACETATE
Common Name English
(±)-3-(METHYLTHIO)HEXYL ACETATE
Systematic Name English
3-(METHYLTHIO) HEXYL ACETATE [FHFI]
Common Name English
1-HEXANOL, 3-(METHYLTHIO)-, ACETATE
Systematic Name English
FEMA NO. 3789
Code English
3-(METHYLTHIO)HEXYL ACETATE, (±)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-(METHYLTHIO)HEXYL ACETATE
Created by admin on Fri Dec 15 21:09:12 GMT 2023 , Edited by admin on Fri Dec 15 21:09:12 GMT 2023
Code System Code Type Description
CAS
51755-85-2
Created by admin on Fri Dec 15 21:09:12 GMT 2023 , Edited by admin on Fri Dec 15 21:09:12 GMT 2023
PRIMARY
JECFA MONOGRAPH
111
Created by admin on Fri Dec 15 21:09:12 GMT 2023 , Edited by admin on Fri Dec 15 21:09:12 GMT 2023
PRIMARY
PUBCHEM
62013
Created by admin on Fri Dec 15 21:09:12 GMT 2023 , Edited by admin on Fri Dec 15 21:09:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID30866217
Created by admin on Fri Dec 15 21:09:12 GMT 2023 , Edited by admin on Fri Dec 15 21:09:12 GMT 2023
PRIMARY
FDA UNII
0GEW9KKA0D
Created by admin on Fri Dec 15 21:09:12 GMT 2023 , Edited by admin on Fri Dec 15 21:09:12 GMT 2023
PRIMARY