3,3-Dimethyl-4-phenyl-2-butanone

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 3,3-Dimethyl-4-phenyl-2-butanone

Structure Search

SMILES

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

InChI

InChIKey=UBNAVIPKORDBNB-UHFFFAOYSA-N

InChI=1S/C12H16O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3

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 `Sat Dec 16 12:28:56 GMT 2023` Edited by `admin` on `Sat Dec 16 12:28:56 GMT 2023`
Record UNII	BCM27S7CD6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,3-Dimethyl-4-phenyl-2-butanone

Systematic Name

English

2-Butanone, 3,3-dimethyl-4-phenyl-

Systematic Name

English

3,3-Dimethyl-4-phenylbutan-2-one

Systematic Name

English

Code System Code Type Description

CAS

13705-37-8

Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023

PRIMARY

FDA UNII

BCM27S7CD6

Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023

PRIMARY

ECHA (EC/EINECS)

237-240-2

Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023

PRIMARY

EPA CompTox

DTXSID80160055

Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023

PRIMARY

PUBCHEM

83670

Created by admin on Sat Dec 16 12:28:56 GMT 2023 , Edited by admin on Sat Dec 16 12:28:56 GMT 2023

PRIMARY