4-(4-Isopropylphenyl)butan-2-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O
Molecular Weight	190.2814
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(4-Isopropylphenyl)butan-2-one

Structure Search

SMILES

CC(C)C1=CC=C(CCC(C)=O)C=C1

InChI

InChIKey=URPGTYOPLRABIL-UHFFFAOYSA-N

InChI=1S/C13H18O/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14/h6-10H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O
Molecular Weight	190.2814
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 19:20:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:20:08 GMT 2025`
Record UNII	ZDJ2J892HG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-(4-Isopropylphenyl)butan-2-one

Systematic Name

English

2-Butanone, 4-[4-(1-methylethyl)phenyl]-

Preferred Name

English

4-[4-(1-Methylethyl)phenyl]-2-butanone

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

234-089-4

Created by admin on Tue Apr 01 19:20:09 GMT 2025 , Edited by admin on Tue Apr 01 19:20:09 GMT 2025

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CAS

10528-64-0

Created by admin on Tue Apr 01 19:20:09 GMT 2025 , Edited by admin on Tue Apr 01 19:20:09 GMT 2025

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EPA CompTox

DTXSID80147048

Created by admin on Tue Apr 01 19:20:09 GMT 2025 , Edited by admin on Tue Apr 01 19:20:09 GMT 2025

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FDA UNII

ZDJ2J892HG

Created by admin on Tue Apr 01 19:20:09 GMT 2025 , Edited by admin on Tue Apr 01 19:20:09 GMT 2025

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PUBCHEM

82704

Created by admin on Tue Apr 01 19:20:09 GMT 2025 , Edited by admin on Tue Apr 01 19:20:09 GMT 2025

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