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Substance Name: 3-Ethyl-5-methylphenol
RN: 698-71-5
UNII: ZV1NMG73ZT
InChIKey: XTCHLXABLZQNNN-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Name of Substance

  • 3-Ethyl-5-methylphenol

Synonyms

  • 1-Hydroxy-3-methyl-5-ethylbenzene
  • 3-Ethyl-5-methylphenol
  • 3-Methyl-5-ethylphenol
  • AI3-24210
  • EINECS 211-818-4
  • NSC 62673
  • NSC 8885
  • UNII-ZV1NMG73ZT

Systematic Names

  • 5-Ethyl-m-cresol
  • m-Cresol, 5-ethyl- (8CI)
  • Phenol, 3-ethyl-5-methyl- (9CI)

Registry Numbers

CAS Registry Number

  • 698-71-5

FDA UNII

  • ZV1NMG73ZT

System Generated Number

  • 0000698715

Structure Descriptors

InChI

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

InChIKey

XTCHLXABLZQNNN-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)O)C)CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51.6 deg C   EXP
Boiling Point 235.7 deg C   EXP
pKa Dissociation Constant 10.1 (none) 28 EXP
log P (octanol-water) 3.100 (none)   EST
Water Solubility 2320 mg/L 25 EXP
Henry's Law Constant 6.78E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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