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Substance Name: Octyl 4-hydroxybenzoate
RN: 1219-38-1
UNII: 4UVK431K6B
InChIKey: RIKCMEDSBFQFAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-O3

Molecular Weight

  • 250.336
 
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Names and Synonyms

Name of Substance

  • Octyl 4-hydroxybenzoate

Synonyms

  • 4-10-00-00378 (Beilstein Handbook Reference)
  • BRN 2807114
  • EINECS 214-943-2
  • NSC 309820
  • Octyl 4-hydroxybenzoate
  • Octyl p-hydroxybenzoate
  • p-Hydroxybenzoic acid octyl ester
  • p-Oxybenzoesaureoctylester
  • p-Oxybenzoesaureoctylester [German]
  • UNII-4UVK431K6B

Systematic Names

  • Benzoic acid, 4-hydroxy-, octyl ester (9CI)
  • Benzoic acid, p-hydroxy-, octyl ester
  • Octyl 4-hydroxybenzoate

Registry Numbers

CAS Registry Number

  • 1219-38-1

FDA UNII

  • 4UVK431K6B

System Generated Number

  • 0001219381

Structure Descriptors

InChI

1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3

InChIKey

RIKCMEDSBFQFAL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 4500mg/kg (4500mg/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) 5.430 (none)   EST
Water Solubility 15 mg/L 30 EXP
Atmospheric OH Rate Constant 2.11E-11 cm3/molecule-sec 25 EST

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