4'-ISOBUTYLACETOPHENONE

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 Search

SMILES

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

InChI

InChIKey=KEAGRYYGYWZVPC-UHFFFAOYSA-N

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

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

PubMed

Title	Date	PubMed
Accelerated degradation of ibuprofen in tablets.	2010-12	19941407
Occurrence and removal of pharmaceuticals in a municipal sewage treatment system in the south of Sweden.	2009-04-01	19157523
A novel hollow-fibre microporous membrane liquid-liquid extraction for determination of free 4-isobutylacetophenone concentration at ultra trace level in environmental aqueous samples.	2007-07-20	17540383
Utilization of zirconia stationary phase as a tool in drug control.	2005-08	16138683

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:10:33 GMT 2025` Edited by `admin` on `Mon Mar 31 22:10:33 GMT 2025`
Record UNII	AML715RD20
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-ISOBUTYLACETOPHENONE

Systematic Name

English

IBUPROFEN RELATED COMPOUND C

Preferred Name

English

P-ISOBUTYLPHENYL METHYL KETONE

Common Name

English

NSC-173015

Code

English

P-ISOBUTYLACETOPHENONE

Common Name

English

IBUPROFEN RELATED COMPOUND C [USP-RS]

Common Name

English

4-(2-METHYLPROPYL)ACETOPHENONE

Common Name

English

4-ISOBUTYLACETOPHENONE

Common Name

English

P-ACETYLISOBUTYLBENZENE

Common Name

English

1-(4-(2-METHYLPROPYL)PHENYL)ETHANONE

Systematic Name

English

ETHANONE, 1-(4-(2-METHYLPROPYL)PHENYL)-

Systematic Name

English

IBUPROFEN IMPURITY E [EP IMPURITY]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID6068147