(Q27261445)

4-Methylthio-2-butanone (English)

14 October 2016

chemical formula

C₅H₁₀OS

1 reference

4-Methylthio-2-butanone (English)

14 October 2016

canonical SMILES

CC(=O)CCSC

1 reference

Volatile Organic Compounds from Arctic Bacteria of theCytophaga-Flavobacterium-Bacteroides Group: A Retrobiosynthetic Approach in Chemotaxonomic Investigations

4-Methylthio-2-butanone (English)

14 October 2016

1 reference

Nicotiana tabacum

1 reference

A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr

Identifiers

InChI

InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3

1 reference

4-Methylthio-2-butanone (English)

14 October 2016

1 reference

Global Substance Registration System

4-Methylthio-2-butanone (English)

14 October 2016

2 references

4-(methylthio)-2-butanone (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=34047-39-7

9 April 2021

1 reference

4-Methylthio-2-butanone (English)

14 October 2016

2 references

4-Methylthio-2-butanone (English)

14 October 2016

ChEBI ID

173440

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID7038783

0 references

EC number

251-810-8

1 reference

Global Substance Registration System

4-(methylthio)-2-butanone (English)

ECHA Substance Infocard ID

14 October 2016

100.047.085

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.047.085

27 December 2018

AICS Chemical ID (BEING DELETED)

4-(methylthio)butan-2-one (English)

quotation

CAS no.: 34047-39-7 (English)

FL number

12.057

1 reference

quotation

CAS no.: 34047-39-7 (English)

23 January 2021

12.057

1 reference

18116

0 references

Human Metabolome Database ID

HMDB0031316

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00061500

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

4-(methylthio)-2-butanone (English)

14 October 2016

Natural Product Atlas ID

NPA010578

2 references

based on heuristic

inferred from InChIKey

JECFA database ID

5042

0 references

JECFA number

497

1 reference

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