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Substance Name: Isobutylparaben
RN: 4247-02-3
UNII: 0QQJ25X58G
InChIKey: XPJVKCRENWUEJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O3

Molecular Weight

  • 194.229
 
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Names and Synonyms

Results Name

  • Isobutylparaben

Name of Substance

  • 4-Hydroxybenzoic acid, 2-methylpropyl ester
  • Benzoic acid, 4-hydroxy-, 2-methylpropyl ester
  • Isobutyl p-hydroxybenzoate
  • Isobutyl parahydroxybenzoate
  • Isobutyl-4-hydroxybenzoate
  • Isobutylparaben

Synonyms

  • 2-Methylpropyl 4-hydroxybenzoate
  • 3-10-00-00308 (Beilstein Handbook Reference)
  • BRN 2642305
  • CCRIS 2463
  • EINECS 224-208-8
  • Isobutyl 4-hydroxybenzoate
  • Isobutyl p-hydroxybenzoate
  • p-Hydroxybenzoic acid isobutyl ester
  • p-Oxybenzoesaureisobutylester
  • p-Oxybenzoesaureisobutylester [German]
  • UNII-0QQJ25X58G

Systematic Names

  • Benzoic acid, 4-hydroxy-, 2-methylpropyl ester (9CI)
  • Benzoic acid, p-hydroxy-, isobutyl ester
  • Isobutyl 4-hydroxybenzoate
  • Isobutyl p-hydroxybenzoate

Registry Numbers

CAS Registry Number

  • 4247-02-3

FDA UNII

  • 0QQJ25X58G

System Generated Number

  • 0004247023

Structure Descriptors

InChI

1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

InChIKey

XPJVKCRENWUEJH-UHFFFAOYSA-N

Smiles

c1(C(OCC(C)C)=O)ccc(O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2600mg/kg (2600mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.