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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O
Molecular Weight 176.2553
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-ISOBUTYLACETOPHENONE

SMILES

CC(C)Cc1ccc(cc1)C(=O)C

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 176.2553
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Utilization of zirconia stationary phase as a tool in drug control.
2005 Aug
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 Jul 20
Occurrence and removal of pharmaceuticals in a municipal sewage treatment system in the south of Sweden.
2009 Apr 1
Accelerated degradation of ibuprofen in tablets.
2010 Dec
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:50:09 UTC 2021
Edited
by admin
on Sat Jun 26 09:50:09 UTC 2021
Record UNII
AML715RD20
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-ISOBUTYLACETOPHENONE
Systematic 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
IBUPROFEN RELATED COMPOUND C
USP-RS  
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]
Common Name English
Code System Code Type Description
EPA CompTox
38861-78-8
Created by admin on Sat Jun 26 09:50:09 UTC 2021 , Edited by admin on Sat Jun 26 09:50:09 UTC 2021
PRIMARY
ECHA (EC/EINECS)
254-159-8
Created by admin on Sat Jun 26 09:50:09 UTC 2021 , Edited by admin on Sat Jun 26 09:50:09 UTC 2021
PRIMARY
PUBCHEM
93214
Created by admin on Sat Jun 26 09:50:10 UTC 2021 , Edited by admin on Sat Jun 26 09:50:10 UTC 2021
PRIMARY
USP_CATALOG
1335541
Created by admin on Sat Jun 26 09:50:10 UTC 2021 , Edited by admin on Sat Jun 26 09:50:10 UTC 2021
PRIMARY USP-RS
FDA UNII
AML715RD20
Created by admin on Sat Jun 26 09:50:10 UTC 2021 , Edited by admin on Sat Jun 26 09:50:10 UTC 2021
PRIMARY
CAS
38861-78-8
Created by admin on Sat Jun 26 09:50:09 UTC 2021 , Edited by admin on Sat Jun 26 09:50:09 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP