(Q27257328)

127931-21-9 (English)

14 October 2016

chemical formula

C₉H₁₈O₂S

1 reference

127931-21-9 (English)

14 October 2016

canonical SMILES

CC(C)COC(=O)CC(C)SC

1 reference

127931-21-9 (English)

InChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3

14 October 2016

Identifiers

InChI

1 reference

127931-21-9 (English)

14 October 2016

1 reference

Global Substance Registration System

127931-21-9 (English)

14 October 2016

2 references

UNII

3JQI3X5245

(+/-)-isobutyl 3-methylthiobutyrate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=127931-21-9

9 April 2021

1 reference

Isobutyl 3-(methylthio)butyrate (English)

14 October 2016

2 references

127931-21-9 (English)

14 October 2016

ChEBI ID

168833

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3

1 reference

1 reference

DSSTOX compound identifier

DTXCID801354850

0 references

FL number

12.214

1 reference

quotation

CAS no.: 127931-21-9 (English)

23 January 2021

12.214

Human Metabolome Database ID

HMDB0032346

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

3JQI3X5245

2 references

stated in

UNII

3JQI3X5245

(+/-)-isobutyl 3-methylthiobutyrate (English)

14 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)

30 June 2018

JECFA number

1677

1 reference

stated in