1-PHENYL-2-BUTANONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O
Molecular Weight	148.2017
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-PHENYL-2-BUTANONE

Structure Search

SMILES

CCC(=O)CC1=CC=CC=C1

InChI

InChIKey=GKDLTXYXODKDEA-UHFFFAOYSA-N

InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

Title	Date	PubMed
The role of aromatic interactions in the structure and energetics of benzyl ketones.	2010-10-07	20664864
Defensive secretions in three species of polydesmids (Diplopoda, Polydesmida, Polydesmidae).	2010-09	20809146
(E)-1-Phenyl-butan-2-one (2,4-dinitro-phen-yl)hydrazone.	2009-10-17	21578325

Name

Type

Language

1-PHENYL-2-BUTANONE

Systematic Name

English

NSC-133447

Preferred Name

English

1-PHENYLBUTAN-2-ONE

Systematic Name

English

2-BUTANONE, 1-PHENYL-

Systematic Name

English

BENZYL ETHYL KETONE

Systematic Name

English

ETHYL BENZYL KETONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60143462

Created by admin on Mon Mar 31 19:39:06 GMT 2025 , Edited by admin on Mon Mar 31 19:39:06 GMT 2025

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NSC

133447

Created by admin on Mon Mar 31 19:39:06 GMT 2025 , Edited by admin on Mon Mar 31 19:39:06 GMT 2025

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PUBCHEM

13879

Created by admin on Mon Mar 31 19:39:06 GMT 2025 , Edited by admin on Mon Mar 31 19:39:06 GMT 2025

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ECHA (EC/EINECS)

213-752-1

Created by admin on Mon Mar 31 19:39:06 GMT 2025 , Edited by admin on Mon Mar 31 19:39:06 GMT 2025

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FDA UNII

1AKG6904VP

Created by admin on Mon Mar 31 19:39:06 GMT 2025 , Edited by admin on Mon Mar 31 19:39:06 GMT 2025

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CAS

1007-32-5

Created by admin on Mon Mar 31 19:39:06 GMT 2025 , Edited by admin on Mon Mar 31 19:39:06 GMT 2025

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SUBSTANCE RECORD


					1AKG6904VP

1-PHENYL-2-BUTANONE