Diacetone Alcohol

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12O2
Molecular Weight	116.1583
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=SWXVUIWOUIDPGS-UHFFFAOYSA-N

InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C6H12O2
Molecular Weight	116.1583
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
Fully automated screening of veterinary drugs in milk by turbulent flow chromatography and tandem mass spectrometry.	2010-08	20379812
A new automated approach to determine monosodium glutamate in dehydrated broths by using the flow-batch methodology.	2010-04-15	20188896
Pyrolytic product characteristics of biosludge from the wastewater treatment plant of a petrochemical industry.	2009-11-15	19570608
Diacetone alcohol, a dispersant solvent, contributes to acute toxicity of a fipronil-based insecticide in a passerine bird.	2008-10	18155147
Comparison of a gas chromatography-optical fibre (GC-OF) detector with a gas chromatography-flame ionization detector (GC-FID) for determination of alcoholic compounds in industrial atmospheres.	2008-07-15	18585296
SPME-GC determination of potential volatile organic leachables in aqueous-based pharmaceutical formulations packaged in overwrapped LDPE vials.	2008-07-15	18372139
Photochemistry of the indoor air pollutant acetone on Degussa P25 TiO2 studied by chemical ionization mass spectrometry.	2007-12-20	18031025
Self-assembly of tin oxide nanoparticles: localized percolating network formation in polymer matrix.	2006-10-24	17042540
Oviposition in Delia platura (Diptera, Anthomyiidae): the role of volatile and contact cues of bean.	2006-07	16718565
Micro- and nanofabrication methods in nanotechnological medical and pharmaceutical devices.	2006	17722281
Isomerization of the protonated acetone dimer in the gas phase.	2005-08	15971295
L-proline catalyzed asymmetric transfer aldol reaction between diacetone alcohol and aldehydes.	2004-11-07	15514810
Safety assessment of MIBK (methyl isobutyl ketone).	2004	15162837
The crystal structure of a novel copper(II) complex with asymmetric ligand derived from l-histidine.	2003-11-17	14606827
The OH-initiated oxidation of hexylene glycol and diacetone alcohol.	2003-09-15	14524450
Decomposition of 2-bromophenol in NaOH solution at high temperature.	2003-08-01	12935756
Gas-phase metal trications in protic solvent complexes.	2002-07-10	12095329
Products and mechanism of the reaction of OH radicals with 2,2,4-trimethylpentane in the presence of NO.	2002-02-15	11878376
Chemical composition and behavioral responses of the marine insect Halobates hawaiiensis (Heteroptera: Gerridae).	2001-09-04	11531096
The genetic toxicology of some hydrocarbon and oxygenated solvents.	1988-05	3045484

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:10:53 GMT 2025` Edited by `admin` on `Mon Mar 31 19:10:53 GMT 2025`
Record UNII	Q7WP157PTD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diacetone Alcohol

Official Name

English

4-HYDROXY-4-METHYL-2-PENTANONE

Preferred Name

English

4-HYDROXY-4-METHYL-2-PENTANONE [HSDB]

Common Name

English

PYRANTON

Brand Name

English

DIACETONE ALCOHOL [MI]

Common Name

English

NSC-9005

Code

English

Classification Tree Code System Code

EPA PESTICIDE CODE

33901