6-PHENYL-3-HEXANONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O
Molecular Weight	176.2548
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-PHENYL-3-HEXANONE

Structure Search

SMILES

CCC(=O)CCCC1=CC=CC=C1

InChI

InChIKey=VYHIWVYNVGQASJ-UHFFFAOYSA-N

InChI=1S/C12H16O/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H16O
Molecular Weight	176.2548
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 19:10:32 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:32 GMT 2025`
Record UNII	2GU8ASY2TF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

6-PHENYLHEXAN-3-ONE

Preferred Name

English

6-PHENYL-3-HEXANONE

Systematic Name

English

ETHYL 3-PHENYLPROPYL KETONE

Common Name

English

3-HEXANONE, 6-PHENYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20207716

Created by admin on Tue Apr 01 19:10:32 GMT 2025 , Edited by admin on Tue Apr 01 19:10:32 GMT 2025

PRIMARY

ECHA (EC/EINECS)

261-531-3

Created by admin on Tue Apr 01 19:10:32 GMT 2025 , Edited by admin on Tue Apr 01 19:10:32 GMT 2025

PRIMARY

FDA UNII

2GU8ASY2TF

Created by admin on Tue Apr 01 19:10:32 GMT 2025 , Edited by admin on Tue Apr 01 19:10:32 GMT 2025

PRIMARY

CAS

58977-36-9

Created by admin on Tue Apr 01 19:10:32 GMT 2025 , Edited by admin on Tue Apr 01 19:10:32 GMT 2025

PRIMARY

PUBCHEM

100910

Created by admin on Tue Apr 01 19:10:32 GMT 2025 , Edited by admin on Tue Apr 01 19:10:32 GMT 2025

PRIMARY