2?-Methylbutyrophenone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O
Molecular Weight	162.2283
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2?-Methylbutyrophenone

Structure Search

SMILES

CCCC(=O)C1=CC=CC=C1C

InChI

InChIKey=ALQIJXZCLUTTIY-UHFFFAOYSA-N

InChI=1S/C11H14O/c1-3-6-11(12)10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O
Molecular Weight	162.2283
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:53:59 GMT 2025` Edited by `admin` on `Tue Apr 01 17:53:59 GMT 2025`
Record UNII	R85XVR3L6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2-Methylphenyl)-1-butanone

Preferred Name

English

2?-Methylbutyrophenone

Systematic Name

English

Butyrophenone, 2?-methyl-

Systematic Name

English

1-Butanone, 1-(2-methylphenyl)-

Systematic Name

English

Code System Code Type Description

CAS

35028-06-9

Created by admin on Tue Apr 01 17:53:59 GMT 2025 , Edited by admin on Tue Apr 01 17:53:59 GMT 2025

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ECHA (EC/EINECS)

252-323-3

Created by admin on Tue Apr 01 17:53:59 GMT 2025 , Edited by admin on Tue Apr 01 17:53:59 GMT 2025

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EPA CompTox

DTXSID70188546

Created by admin on Tue Apr 01 17:53:59 GMT 2025 , Edited by admin on Tue Apr 01 17:53:59 GMT 2025

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PUBCHEM

3015728

Created by admin on Tue Apr 01 17:53:59 GMT 2025 , Edited by admin on Tue Apr 01 17:53:59 GMT 2025

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FDA UNII

R85XVR3L6H

Created by admin on Tue Apr 01 17:53:59 GMT 2025 , Edited by admin on Tue Apr 01 17:53:59 GMT 2025

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