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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
Acid-catalyzed isomerization of pivalaldehyde to methyl isopropyl ketone via a reactive protosolvated carboxonium ion intermediate.
2001 Nov 28
Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O.
2002 Sep 11
Carbocationic rearrangement of pivaloyl cation and protonated pivalaldehyde in superacid medium: a novel solution equivalent of the McLafferty rearrangement.
2004 Jul
Products and mechanism of the reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO.
2004 Oct 1
Degradation characteristics of methyl ethyl ketone by Pseudomonas sp. KT-3 in liquid culture and biofilter.
2006 Apr
Asymmetric allylation of methyl ketones by using chiral phenyl carbinols.
2009 Jun 15
3,3-Dimethyl-cis-2,6-di-p-tolyl-piperidin-4-one.
2009 Sep 12
Mixture toxicity of SN2-reactive soft electrophiles: 1. Evaluation of mixtures containing α-halogenated acetonitriles.
2010 Nov
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:41:52 GMT 2023
Edited
by admin
on Fri Dec 15 18:41:52 GMT 2023
Record UNII
V8DP6THY5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL ISOPROPYL KETONE
MI  
Systematic 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
NSC-9379
Code English
METHYL ISOPROPYL KETONE [MI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 44104
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
Code System Code Type Description
PUBCHEM
11251
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY
NSC
9379
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY
FDA UNII
V8DP6THY5O
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY
WIKIPEDIA
METHYL ISOPROPYL KETONE
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY
CAS
563-80-4
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
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HSDB
7915
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-264-3
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY
MERCK INDEX
m7432
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID0022062
Created by admin on Fri Dec 15 18:41:52 GMT 2023 , Edited by admin on Fri Dec 15 18:41:52 GMT 2023
PRIMARY