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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
An experimental study of the gas-phase reaction of the NO3 radical with alpha,beta-unsaturated carbonyl compounds.
2005 Feb 21
Acetone reactions over the surfaces of polycrystalline UO2: a kinetic and spectroscopic study.
2009 Apr 21
Bis(4-ammonio-4-methyl-pentan-2-one-κO)dioxalato-κO,O-copper(II).
2009 Jan 14
Application of artificial neural networks in the prediction of product distribution in electrophoretically mediated microanalysis.
2009 Jul
Target gene approaches: Gene expression in Daphnia magna exposed to predator-borne kairomones or to microcystin-producing and microcystin-free Microcystis aeruginosa.
2009 Nov 16
4,4,6-Trimethyl-1-(3-methyl-phen-yl)-3,4-dihydro-pyrimidine-2(1H)-thione.
2010 Feb 13
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
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EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY