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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2S
Molecular Weight 148.223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(METHYLTHIO)PROPYL ACETATE

SMILES

CSCCCOC(C)=O

InChI

InChIKey=LPZQTNIAYMRVMF-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O2S
Molecular Weight 148.223
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Heavy sulphur compounds, higher alcohols and esters production profile of Hanseniaspora uvarum and Hanseniaspora guilliermondii grown as pure and mixed cultures in grape must.
2008-06-10
Comparison of volatile sulphur compound production by cheese-ripening yeasts from methionine and methionine-cysteine mixtures.
2007-07
Alcohols, esters and heavy sulphur compounds production by pure and mixed cultures of apiculate wine yeasts.
2005-09-15
Investigation of volatiles in Charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars.
2004-07-14
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:20:44 GMT 2025
Edited
by admin
on Mon Mar 31 19:20:44 GMT 2025
Record UNII
IGN6YR3CJE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(METHYLTHIO)PROPYL ACETATE
FHFI  
Systematic Name English
FEMA NO. 3883
Preferred Name English
3-ACETOXYPROPYL METHYL SULFIDE
Systematic Name English
ACETIC ACID 3-(METHYLTHIO)PROPYL ESTER
Systematic Name English
1-PROPANOL, 3-(METHYLTHIO)-, 1-ACETATE
Common Name English
3-(METHYLTHIO)PROPYL ACETATE [FHFI]
Common Name English
1-PROPANOL, 3-(METHYLTHIO)-, ACETATE
Systematic Name English
METHIONYL ACETATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-(METHYLTHIO)PROPYL ACETATE
Created by admin on Mon Mar 31 19:20:44 GMT 2025 , Edited by admin on Mon Mar 31 19:20:44 GMT 2025
Code System Code Type Description
FDA UNII
IGN6YR3CJE
Created by admin on Mon Mar 31 19:20:44 GMT 2025 , Edited by admin on Mon Mar 31 19:20:44 GMT 2025
PRIMARY
CAS
16630-55-0
Created by admin on Mon Mar 31 19:20:44 GMT 2025 , Edited by admin on Mon Mar 31 19:20:44 GMT 2025
PRIMARY
PUBCHEM
85519
Created by admin on Mon Mar 31 19:20:44 GMT 2025 , Edited by admin on Mon Mar 31 19:20:44 GMT 2025
PRIMARY
JECFA MONOGRAPH
679
Created by admin on Mon Mar 31 19:20:44 GMT 2025 , Edited by admin on Mon Mar 31 19:20:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
240-679-2
Created by admin on Mon Mar 31 19:20:44 GMT 2025 , Edited by admin on Mon Mar 31 19:20:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID90168087
Created by admin on Mon Mar 31 19:20:44 GMT 2025 , Edited by admin on Mon Mar 31 19:20:44 GMT 2025
PRIMARY