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Substance Name: Benzoic acid, 4-hydroxy-, 1-methylethyl ester
RN: 4191-73-5
UNII: A6EOX47QK0
InChIKey: CMHMMKSPYOOVGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-O3

Molecular Weight

  • 180.202
 
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Names and Synonyms

Name of Substance

  • 1-Methylethyl-4-hydroxybenzoate
  • 4-Hydroxybenzoic acid, 1-methylethyl ester
  • Benzoic acid, 4-hydroxy-, 1-methylethyl ester
  • Isopropyl 4-hydroxybenzoate
  • Isopropylparaben

Synonyms

  • 1-Methylethyl 4-hydroxybenzoate
  • 4-10-00-00375 (Beilstein Handbook Reference)
  • BRN 2641564
  • EINECS 224-069-3
  • Isopropyl 4-hydroxybenzoate
  • Isopropyl p-hydroxybenzoate
  • p-Hydroxybenzoic acid isopropyl ester
  • p-Oxybenzoesaureisopropylester
  • p-Oxybenzoesaureisopropylester [German]
  • UNII-A6EOX47QK0

Systematic Names

  • Benzoic acid, 4-hydroxy-, 1-methylethyl ester (9CI)
  • Benzoic acid, p-hydroxy-, isopropyl ester
  • Isopropyl 4-hydroxybenzoate

Registry Numbers

CAS Registry Number

  • 4191-73-5

FDA UNII

  • A6EOX47QK0

System Generated Number

  • 0004191735

Structure Descriptors

InChI

1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3

InChIKey

CMHMMKSPYOOVGI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1900mg/kg (1900mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.