U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O
Molecular Weight 98.143
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Mesityl oxide

SMILES

CC(C)=CC(C)=O

InChI

InChIKey=SHOJXDKTYKFBRD-UHFFFAOYSA-N
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H10O
Molecular Weight 98.143
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Measurement of secondary products during oxidation reactions of terpenes and ozone based on the PTR-MS analysis: effects of coexistent carbonyl compounds.
2010-11
A systematic study on the activation of simple polyethers by MoCl5 and WCl6.
2010-06-14
Gene expression and activity of digestive proteases in Daphnia: effects of cyanobacterial protease inhibitors.
2010-05-04
4,4,6-Trimethyl-1-(3-methyl-phen-yl)-3,4-dihydro-pyrimidine-2(1H)-thione.
2010-02-13
1-(4-Chloro-phen-yl)-4,4,6-trimethyl-3,4-dihydro-pyrimidine-2(1H)-thione.
2010-01-23
Target gene approaches: Gene expression in Daphnia magna exposed to predator-borne kairomones or to microcystin-producing and microcystin-free Microcystis aeruginosa.
2009-11-16
Application of artificial neural networks in the prediction of product distribution in electrophoretically mediated microanalysis.
2009-07
Acetone reactions over the surfaces of polycrystalline UO2: a kinetic and spectroscopic study.
2009-04-21
Function-oriented synthesis applied to the anti-botulinum natural product toosendanin.
2009-02-01
Bis(4-ammonio-4-methyl-pentan-2-one-κO)dioxalato-κO,O-copper(II).
2009-01-14
Structural and formulation factors influencing pyridinium lipid-based gene transfer.
2008-12
The use of headspace solid phase microextraction for the characterization of volatile compounds in olive oil matrices.
2008-10-19
Speciation of scandium and gallium in soil.
2008-09
Origins of selectivity for the [2+2] cycloaddition of alpha,beta-unsaturated ketones within a porous self-assembled organic framework.
2008-01-16
Photochemistry of the indoor air pollutant acetone on Degussa P25 TiO2 studied by chemical ionization mass spectrometry.
2007-12-20
[Sensory evaluation test: odor component analysis and endotoxin content of Krestin and Carbocrin (generic drug) to compare palatability].
2007-08
Off-line integration of CE and MALDI-MS using a closed-open-closed microchannel system.
2007-07
Two-dimensional capillary electrophoresis using tangentially connected capillaries.
2007-06-22
One-pot synthesis of novel 1H-pyrimido[4,5-c][1,2]diazepines and pyrazolo[3,4-d]pyrimidines.
2006-03-23
On the mechanism of the Skraup-Doebner-Von Miller quinoline synthesis.
2006-02-17
A new approach to promoting sluggish Diels-Alder reactions: dihapto-coordination of the diene.
2006-02-08
An experimental study of the gas-phase reaction of the NO3 radical with alpha,beta-unsaturated carbonyl compounds.
2005-02-21
The strongest isolable acid.
2004-10-11
Proline-coated column for the capillary electrochromatographic separation of amino acids by in-column derivatization.
2004-10
Analysis of a model reaction system containing cysteine and (E)-2-methyl-2-butenal, (E)-2-hexenal, or mesityl oxide.
2003-11-19
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats.
2003-07-04
Sources of semiochemicals mediating host finding in Callosobruchus chinensis (Coleoptera: Bruchidae).
2003-06
Speciation of vanadium in soil.
2003-01-02
Volatile compounds emitted by sclerotia of Sclerotinia minor, Sclerotinia sclerotiorum, and Sclerotium rolfsii.
2002-06-19
Medium-throughput pKa screening pharmaceuticals by pressure-assisted capillary electrophoresis.
2001-04
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:19:51 GMT 2025
Edited
by admin
on Mon Mar 31 19:19:51 GMT 2025
Record UNII
77LAC84669
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-3-PENTENE-2-ONE
FHFI  
Preferred Name English
Mesityl oxide
HSDB   MI  
Systematic Name English
CILASTATIN SODIUM IMPURITY D [EP IMPURITY]
Common Name English
MESITYL OXIDE [MI]
Common Name English
TEICOPLANIN IMPURITY A [EP IMPURITY]
Common Name English
NSC-38717
Code English
4-METHYL-3-PENTENE-2-ONE [FHFI]
Common Name English
4-METHYL-3-PENTEN-2-ONE
Systematic Name English
2-METHYL-2-PENTEN-4-ONE
Systematic Name English
ISOBUTENYL METHYL KETONE
Systematic Name English
3-PENTEN-2-ONE, 4-METHYL-
Systematic Name English
METHYL 2,2-DIMETHYLVINYL KETONE
Systematic Name English
MESITYL OXIDE [HSDB]
Common Name English
METHYL ISOBUTENYL KETONE
Systematic Name English
FEMA NO. 3368
Code English
2,2-DIMETHYLVINYL METHYL KETONE
Systematic Name English
ISOPROPYLIDENEACETONE
Systematic Name English
4-METHYLPENT-3-EN-2-ONE
Systematic Name English
OSSIDO DI MESITILE
Common Name English
2-METHYL-4-OXO-2-PENTENE
Systematic Name English
METHYL 2-METHYL-1-PROPENYL KETONE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 52401
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
JECFA EVALUATION 4-METHYL-3-PENTEN-2-ONE
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
205-502-5
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID1029170
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
PUBCHEM
8858
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
NSC
38717
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
CAS
141-79-7
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
MESH
C008374
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
MERCK INDEX
m7248
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY Merck Index
HSDB
1195
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
FDA UNII
77LAC84669
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
JECFA MONOGRAPH
1063
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
WIKIPEDIA
MESITYL OXIDE
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY