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Substance Name: 4-Propylphenol
RN: 645-56-7
UNII: H27VG833JY
InChIKey: KLSLBUSXWBJMEC-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.1928
 
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Names and Synonyms

Name of Substance

  • 4-Propylphenol

Synonyms

  • 1-Hydroxy-4-n-propylbenzene
  • 4-06-00-03181 (Beilstein Handbook Reference)
  • 4-n-Propylphenol
  • 4-Propylphenol
  • BRN 1363429
  • Dihydrochavicol
  • EINECS 211-446-2
  • FEMA No. 3649
  • Hydroxypropylbenzene, p-
  • NSC 65647
  • p-Propylphenol
  • Phenol, 4-propyl-
  • Phenol, p-propyl-
  • UNII-H27VG833JY

Systematic Names

  • p-Propylphenol
  • Phenol, 4-propyl-
  • Phenol, p-propyl-

Superlist Name

  • 4-Propylphenol

Registry Numbers

CAS Registry Number

  • 645-56-7

FDA UNII

  • H27VG833JY

System Generated Number

  • 0000645567

Structure Descriptors

InChI

InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3

InChIKey

KLSLBUSXWBJMEC-UHFFFAOYSA-N

Smiles

CCCc1ccc(O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 675mg/kg (675mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974.
mammal (species unspecified) LD50 oral 540mg/kg (540mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified) LD50 skin 2150mg/kg (2150mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mouse LD50 intraperitoneal 81mg/kg (81mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
mouse LD50 oral 348mg/kg (348mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974.
rat LD50 oral 500mg/kg (500mg/kg)   Eesti NSV Teaduste Akadeemia Toimetised, Biologia. Proceedings of the Academy of Sciences of the Estonian SSR. Vol. 24, Pg. 281, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 22 deg C   EXP
Boiling Point 232.6 deg C   EXP
pKa Dissociation Constant 10.34 (none) 20 EXP
log P (octanol-water) 3.2 (none)   EXP
Water Solubility 1280 mg/L 25 EXP
Henry's Law Constant 1.14E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.32E-11 cm3/molecule-sec 25 EST

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