3-HEXANONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12O
Molecular Weight	100.1589
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)CC

InChI

InChIKey=PFCHFHIRKBAQGU-UHFFFAOYSA-N

InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H12O
Molecular Weight	100.1589
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
NADPH-dependent reductases involved in the detoxification of reactive carbonyls in plants.	2011-03-04	21169366
Application of ion mobility spectrometry for the detection of human urine.	2010-11	20820995
Assessment of dominance hierarchy through urine scent marking and its chemical constituents in male blackbuck Antelope cervicapra, a critically endangered species.	2010-09	20547215
Chemical oxidation of 2,6-dimethylaniline by electrochemically generated Fenton's reagent.	2010-04-15	19963316
Thermodynamic properties of hyperbranched polymer, Boltorn U3000, using inverse gas chromatography.	2009-11-19	19852451
Chemical oxidation of 2,6-dimethylaniline in the fenton process.	2009-11-15	20028063
Antimicrobial activity of the essential oil obtained from roots and chemical composition of the volatile constituents from the roots, stems, and leaves of Ballota nigra from Serbia.	2009-04	19459749
Rate constants for the reaction of cl with a series of C4 to C6 ketones using the relative rate method.	2007-10-25	17914780
[Identification of volatiles from field cotton plant under different induction treatments].	2007-04	17615885
Pulsed laser photolysis vacuum UV laser-induced fluorescence kinetic study of the gas-phase reactions of Cl(2P3/2) atoms with C3-C6 ketones.	2007-02-22	17266289
Ozone artifacts and carbonyl measurements using Tenax GR, Tenax TA, Carbopack B, and Carbopack X adsorbents.	2006-11	17117735
Modified determination method of total bromine in agricultural products by gas chromatography.	2005-06	16042300
Migration of volatile degradation products into ozonated water from plastic packaging materials.	2003-10	14594682
Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction.	2003-08-13	12903938
Altered host plant volatiles are proxies for sex pheromones in the gall wasp Antistrophus rufus.	2002-11-26	12438683
Profile of volatile metabolites in human urine.	1971-07	5556886

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:36:44 GMT 2025` Edited by `admin` on `Mon Mar 31 18:36:44 GMT 2025`
Record UNII	P601A79G79
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-HEXANONE

Systematic Name

English

3-HEXANONE [FHFI]

Preferred Name

English

HEXAN-3-ONE

Systematic Name

English

3-OXOHEXANE

Systematic Name

English

FEMA NO. 3290

Code

English

ETHYL PROPYL KETONE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

3-HEXANONE