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Substance Name: 4'-Isobutylacetophenone
RN: 38861-78-8
UNII: AML715RD20
InChIKey: KEAGRYYGYWZVPC-UHFFFAOYSA-N

Note

  • A toxic degradation product of ibuprofen, in river and sewage water samples.

Molecular Formula

  • C12-H16-O

Molecular Weight

  • 176.257
 
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Names and Synonyms

Name of Substance

  • 4'-Isobutylacetophenone

Synonyms

  • 4-Isobutylacetophenone
  • Acetophenone, 4-isobutyl-
  • EINECS 254-159-8
  • NSC 173015
  • p-Isobutylacetophenone
  • UNII-AML715RD20

Systematic Names

  • 1-(4-(2-Methylpropyl)phenyl)ethan-1-one
  • Ethanone, 1-(4-(2-methylpropyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 38861-78-8

FDA UNII

  • AML715RD20

System Generated Number

  • 0038861788

Structure Descriptors

InChI

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

InChIKey

KEAGRYYGYWZVPC-UHFFFAOYSA-N

Smiles

O=C(c1ccc(cc1)CC(C)C)C