METHYL ISOPROPYL KETONE

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NCATS

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	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Acid-catalyzed isomerization of pivalaldehyde to methyl isopropyl ketone via a reactive protosolvated carboxonium ion intermediate.	2001 Nov 28	11716708
An arylbenzofuran and four isoflavonoids from the roots of Erythrina poeppigiana.	2003 Jul	12809721
Carbocationic rearrangement of pivaloyl cation and protonated pivalaldehyde in superacid medium: a novel solution equivalent of the McLafferty rearrangement.	2004 Jul	15234354
Products and mechanism of the reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO.	2004 Oct 1	15506196
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	16268584

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Patents

Substance Class	Chemical
Record UNII	V8DP6THY5O
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

METHYL ISOPROPYL KETONE

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

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

44104

Showing 1 to 1 of 1 entries

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Code System

Code

Type

Description

PUBCHEM

11251

PRIMARY

NSC

9379

PRIMARY

FDA UNII

V8DP6THY5O

PRIMARY

WIKIPEDIA

METHYL ISOPROPYL KETONE

PRIMARY

CAS

563-80-4

PRIMARY

Showing 1 to 5 of 9 entries

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