3-hydroxy-3-methyl-2-butanone (Q72485146)

From Wikidata

Jump to navigation Jump to search

chemical compound

• 3-methylacetoin

edit

Language	Label	Description	Also known as
English	3-hydroxy-3-methyl-2-butanone	chemical compound	3-methylacetoin

Statements

instance of

type of chemical entity

0 references

subclass of

fatty alcohol

0 references

biogenic acyclic ketone

0 references

chemical structure

3-methylacetoin.png
890 × 905; 18 KB

0 references

mass

102.06807956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅H₁₀O₂

0 references

canonical SMILES

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

0 references

found in taxon

Streptomyces avermitilis

1 reference

stated in

Identification of odorous compounds from Streptomyces avermitilis

Blakeslea trispora

1 reference

stated in

Volatile constituents of Plus and minus strains of Blakeslea trispora

Identifiers

InChI

InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3

0 references

InChIKey

BNDRWEVUODOUDW-UHFFFAOYSA-N

0 references

CAS Registry Number

115-22-0

1 reference

InChIKey

BNDRWEVUODOUDW-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=115-22-0

PubChem CID

8261

1 reference

matched by identifier from

InChIKey

InChIKey

BNDRWEVUODOUDW-UHFFFAOYSA-N

ChEBI ID

179407

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3

UniChem compound ID

1290722

1 reference

stated in

UniChem

NMRShiftDB structure ID

10020696

1 reference

matched by identifier from

InChIKey

InChIKey

BNDRWEVUODOUDW-UHFFFAOYSA-N

DSSTox substance ID

DTXSID60870468

1 reference

matched by identifier from

InChIKey

InChIKey

BNDRWEVUODOUDW-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID80200384

0 references

NSC number

5576

0 references

EC number

204-073-1

0 references

ECHA Substance Infocard ID

100.003.703

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.703

retrieved

29 December 2019

title

3-hydroxy-3-ethylbutanone (English)

quotation

CAS no.: 115-22-0 (English)

UNII

YYL6RC5VC2

1 reference

matched by identifier from

InChIKey

InChIKey

BNDRWEVUODOUDW-UHFFFAOYSA-N

Natural Product Atlas ID

NPA017196

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BNDRWEVUODOUDW-UHFFFAOYSA-N

LIPID MAPS ID

LMFA12000066

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

 

Sitelinks

Wikipedia(0 entries)

edit

Wikibooks(0 entries)

edit

Wikinews(0 entries)

edit

Wikiquote(0 entries)

edit

Wikisource(0 entries)

edit

Wikiversity(0 entries)

edit

Wikivoyage(0 entries)

edit

Wiktionary(0 entries)

edit

Multilingual sites(0 entries)

edit

Retrieved from "https://www.wikidata.org/w/index.php?title=Q72485146&oldid=2160532632"