U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C5H10O
Molecular Weight 86.1323
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL ISOPROPYL KETONE

SMILES

CC(C)C(C)=O

InChI

InChIKey=SYBYTAAJFKOIEJ-UHFFFAOYSA-N
InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3

HIDE SMILES / InChI

Molecular Formula C5H10O
Molecular Weight 86.1323
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions.
2005 Nov 11
An efficient catalyst system for the asymmetric transfer hydrogenation of ketones: remarkably broad substrate scope.
2006 Feb 1
Time dependence in mixture toxicity with soft electrophiles: 1. Combined effects of selected SN2- and SNAr-reactive agents with a nonpolar narcotic.
2007 Apr
Rate constants for the reaction of cl with a series of C4 to C6 ketones using the relative rate method.
2007 Oct 25
r-2,c-6-Bis(4-methoxy-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.
2008 Nov 13
r-2,c-6-Bis(4-chloro-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.
2008 Nov 13
1,3-Dimethyl-2,6-diphenyl-piperidin-4-one.
2009 Jan 31
3-Hydr-oxy-3-[(2-methyl-propano-yl)meth-yl]indolin-2-one.
2009 Jul 1
Asymmetric allylation of methyl ketones by using chiral phenyl carbinols.
2009 Jun 15
c-3,t-3-Dimethyl-r-2,c-6-diphenyl-piperidin-4-one.
2009 Oct 17
3,3-Dimethyl-cis-2,6-di-p-tolyl-piperidin-4-one.
2009 Sep 12
New 3H-indole synthesis by Fischer's method. Part I.
2010 Apr 8
Application of ion mobility spectrometry for the detection of human urine.
2010 Nov
Mixture toxicity of SN2-reactive soft electrophiles: 1. Evaluation of mixtures containing α-halogenated acetonitriles.
2010 Nov
Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment.
2010 Oct
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:19:05 GMT 2025
Edited
by admin
on Mon Mar 31 19:19:05 GMT 2025
Record UNII
V8DP6THY5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL ISOPROPYL KETONE
MI  
Systematic Name English
NSC-9379
Preferred Name English
2-ACETYLPROPANE
Systematic Name English
3-METHYL-2-BUTANONE
Systematic Name English
METHYL-2-BUTANONE, 3-
Systematic Name English
ISOPROPYL METHYL KETONE
Systematic Name English
METHYL ISOPROPYL KETONE [MI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 44104
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
Code System Code Type Description
PUBCHEM
11251
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
NSC
9379
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
FDA UNII
V8DP6THY5O
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
WIKIPEDIA
METHYL ISOPROPYL KETONE
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
CAS
563-80-4
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
HSDB
7915
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
209-264-3
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
MERCK INDEX
m7432
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID0022062
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY