3-HYDROXY-3-METHYL-2,4-PENTANEDIONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10O3
Molecular Weight	130.1418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-3-METHYL-2,4-PENTANEDIONE

Structure Search

SMILES

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

InChI

InChIKey=PYRMISJRKRVNPG-UHFFFAOYSA-N

InChI=1S/C6H10O3/c1-4(7)6(3,9)5(2)8/h9H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C6H10O3
Molecular Weight	130.1418
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Acetylacetoin synthase as a marker enzyme for detecting the 2,3-butanediol cycle.	2002	16233196
Acetoin catabolism and acetylbutanediol formation by Bacillus pumilus in a chemically defined medium.	2009 May 20	19461961

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:53:57 GMT 2023` Edited by `admin` on `Fri Dec 15 18:53:57 GMT 2023`
Record UNII	CN7KH697OH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-3-METHYL-2,4-PENTANEDIONE

Systematic Name

English

1,1-DIACETYLETHYL ALCOHOL

Systematic Name

English

2,4-PENTANEDIONE, 3-HYDROXY-3-METHYL-

Systematic Name

English

DIACETYLMETHYLCARBINOL

Systematic Name

English

Code System Code Type Description

FDA UNII

CN7KH697OH

Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023

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PUBCHEM

192843

Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023

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CAS

7338-73-0

Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023

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EPA CompTox

DTXSID90223620

Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023

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