4-METHYL-1-PHENYL-2-PENTANONE

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 4-METHYL-1-PHENYL-2-PENTANONE

Structure Search

SMILES

CC(C)CC(=O)CC1=CC=CC=C1

InChI

InChIKey=DTYGTEGDVPAKDA-UHFFFAOYSA-N

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

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 `Mon Mar 31 19:01:34 GMT 2025` Edited by `admin` on `Mon Mar 31 19:01:34 GMT 2025`
Record UNII	2Z1A62342T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 2740

Preferred Name

English

4-METHYL-1-PHENYL-2-PENTANONE

Systematic Name

English

4-METHYL-1-PHENYL-2-PENTANONE [FHFI]

Common Name

English

NSC-1268

Code

English

SPICY PENTANONE

Common Name

English

4-METHYL-1-PHENYLPENTAN-2-ONE

Systematic Name

English

ISOBUTYL BENZYL KETONE

Systematic Name

English

BENZYL ISOBUTYL KETONE

Systematic Name

English

2-PENTANONE, 4-METHYL-1-PHENYL-

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

4-METHYL-1-PHENYL-2-PENTANONE

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

226-316-0

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

PRIMARY

PUBCHEM

219672

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

PRIMARY

FDA UNII

2Z1A62342T

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

PRIMARY

CAS

5349-62-2

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

PRIMARY

EPA CompTox

DTXSID1063805

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

PRIMARY

NSC

1268

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

PRIMARY

JECFA MONOGRAPH

799

Created by admin on Mon Mar 31 19:01:34 GMT 2025 , Edited by admin on Mon Mar 31 19:01:34 GMT 2025

PRIMARY