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Substance Name: Hexyl p-hydroxybenzoate
RN: 1083-27-8
UNII: 14Y8G9635E
InChIKey: ULULAZKOCFNOIM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O3

Molecular Weight

  • 222.282
 
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Names and Synonyms

Results Name

  • Hexyl p-hydroxybenzoate

Name of Substance

  • Hexylparaben

Synonyms

  • 4-10-00-00377 (Beilstein Handbook Reference)
  • 4-Hydroxybenzoesaeurehexylester
  • BRN 2723592
  • Hexyl 4-hydroxybenzoat
  • Hexyl 4-hydroxybenzoate
  • Hexyl p-hydroxybenzoate
  • p-Hydroxybenzoic acid hexyl ester
  • p-Oxybenzoesaeurehexylester
  • p-Oxybenzoesaurehexylester
  • p-Oxybenzoesaurehexylester [German]
  • UNII-14Y8G9635E

Systematic Names

  • Benzoic acid, 4-hydroxy-, hexyl ester (9CI)
  • Benzoic acid, p-hydroxy-, hexyl ester

Registry Numbers

CAS Registry Number

  • 1083-27-8

FDA UNII

  • 14Y8G9635E

System Generated Number

  • 0001083278

Structure Descriptors

InChI

1S/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3

InChIKey

ULULAZKOCFNOIM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 3400mg/kg (3400mg/kg) BEHAVIORAL: ANALGESIA

PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.35 (none)   EXP
Water Solubility 25 mg/L 30 EXP
Vapor Pressure 2.44E-05 mm Hg 25 EST
Henry's Law Constant 1.49E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.83E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.