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Substance Name: 2-Propylphenol
RN: 644-35-9
UNII: 333R6F6T3N
InChIKey: LCHYEKKJCUJAKN-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Name of Substance

  • 2-Propylphenol

Synonyms

  • 1-(2-Hydroxyphenyl)propane
  • 1-Hydroxy-2-n-propylbenzene
  • 2-n-Propylphenol
  • 2-Propylphenol
  • 4-06-00-03176 (Beilstein Handbook Reference)
  • BRN 1363932
  • EINECS 211-415-3
  • FEMA No. 3522
  • NSC 65646
  • o-Propylphenol
  • Phenol, 2-propyl-
  • Phenol, o-propyl-
  • UNII-333R6F6T3N

Systematic Names

  • 2-Propylphenol
  • Phenol, 2-propyl-
  • Phenol, o-propyl-

Superlist Name

  • 2-Propylphenol

Registry Numbers

CAS Registry Number

  • 644-35-9

FDA UNII

  • 333R6F6T3N

System Generated Number

  • 0000644359

Structure Descriptors

InChI

1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3

InChIKey

LCHYEKKJCUJAKN-UHFFFAOYSA-N

Smiles

c1(c(cccc1)O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 450mg/kg (450mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974.
mouse LD50 oral 356mg/kg (356mg/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 7 deg C   EXP
Boiling Point 220 deg C   EXP
pKa Dissociation Constant 10.47 (none) 25 EXP
log P (octanol-water) 2.93 (none)   EXP
Water Solubility 1040 mg/L 25 EST
Henry's Law Constant 1.09E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.32E-11 cm3/molecule-sec 25 EST

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