4-mercapto-4-methyl-2-pentanone (Q27147464)

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chemical compound

4-Methyl-4-mercapto-2-pentanone
4-Sulphanyl-4-methylpentan-2-one
4-Sulfanyl-4-methylpentan-2-one
4-Methyl-4-sulfanyl-2-pentanone
4-Mercapto-4-methyl-2-Pentanone
4-Methyl-4-thiolpentan-2-one
4-Methyl-4-mercaptopentan-2-one
4-Mercapto-4-methyl-2-pentanone

Language	Label	Description	Also known as
English	4-mercapto-4-methyl-2-pentanone	chemical compound	4-Methyl-4-mercapto-2-pentanone 4-Sulphanyl-4-methylpentan-2-one 4-Sulfanyl-4-methylpentan-2-one 4-Methyl-4-sulfanyl-2-pentanone 4-Mercapto-4-methyl-2-Pentanone 4-Methyl-4-thiolpentan-2-one 4-Methyl-4-mercaptopentan-2-one 4-Mercapto-4-methyl-2-pentanone

Statements

type of chemical entity

0 references

oxygenated hydrocarbon

0 references

chemical structure

4-mercapto-4-methyl-2-pentanone.svg
290 × 145; 10 KB

0 references

132.061±0 dalton

1 reference

language of work or name

19872-52-7 (English)

8 October 2016

chemical formula

C₆H₁₂OS

1 reference

language of work or name

19872-52-7 (English)

20 November 2016

canonical SMILES

CC(=O)CC(C)(C)S

1 reference

language of work or name

19872-52-7 (English)

20 November 2016

Buxus sempervirens

1 reference

Identification of 4-mercapto-4-methylpentan-2-one from the box tree (Buxus sempervirens L.) and broom (Sarothamnus scoparius (L.) Koch)

Cytisus scoparius

1 reference

Identification of 4-mercapto-4-methylpentan-2-one from the box tree (Buxus sempervirens L.) and broom (Sarothamnus scoparius (L.) Koch)

Humulus lupulus

3 references

Comparison of 4-Mercapto-4-methylpentan-2-one contents in hop cultivars from different growing regions.

First Evidence of the Cysteine and Glutathione Conjugates of 3-Sulfanylpentan-1-ol in Hop ( Humulus lupulus L.).

Characterization of Key Aroma Compounds in Pellets of Different Hop Varieties (Humulus lupulus L.) by Means of the Sensomics Approach

Identifiers

InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

1 reference

language of work or name

19872-52-7 (English)

20 November 2016

QRNZMFDCKKEPSX-UHFFFAOYSA-N

2 references

language of work or name

19872-52-7 (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

4-mercapto-4-methyl-2-pentanone (English)

20 November 2016

QRNZMFDCKKEPSX-UHFFFAOYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=19872-52-7

1 reference

language of work or name

2-Mercapto-2-methylpentan-4-one (English)

20 November 2016

2 references

language of work or name

19872-52-7 (English)

20 November 2016

matched by identifier from

QRNZMFDCKKEPSX-UHFFFAOYSA-N

Reaxys registry number

1699508

1 reference

language of work or name

4-mercapto-4-methylpentan-2-one (English)

8 October 2016

mapping relation type

2 references

language of work or name

4-mercapto-4-methylpentan-2-one (English)

8 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QRNZMFDCKKEPSX-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

2 references

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

matched by identifier from

QRNZMFDCKKEPSX-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

243-386-8

1 reference

Global Substance Registration System

language of work or name

4-mercapto-4-methyl-2-pentanone (English)

20 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

4-mercapto-4-methylpentan-2-one (English)

CAS no.: 19872-52-7 (English)

12.169

1 reference

CAS no.: 19872-52-7 (English)

23 January 2021

12.169

AICS Chemical ID (BEING DELETED)

0 references

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QRNZMFDCKKEPSX-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QRNZMFDCKKEPSX-UHFFFAOYSA-N

2 references

Global Substance Registration System

language of work or name

4-mercapto-4-methyl-2-pentanone (English)

20 November 2016

matched by identifier from

QRNZMFDCKKEPSX-UHFFFAOYSA-N

1 reference

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

30 June 2018

Google Knowledge Graph ID

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1293

1 reference

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

13 May 2021

Sitelinks

Wikipedia(2 entries)

enwiki 4-Mercapto-4-methyl-2-pentanone
jawiki 4-メルカプト-4-メチル-2-ペンタノン

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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