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Substance Name: 3-Methylbenzyl alcohol
RN: 587-03-1
UNII: TTG38P37U6
InChIKey: JJCKHVUTVOPLBV-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 3-Methylbenzyl alcohol

Synonyms

  • AI3-21575
  • EINECS 209-595-3
  • NSC 9397
  • UNII-TTG38P37U6

Systematic Names

  • 3-Methylbenzyl alcohol
  • Benzenemethanol, 3-methyl-

Registry Numbers

CAS Registry Number

  • 587-03-1

FDA UNII

  • TTG38P37U6

System Generated Number

  • 0000587031

Structure Descriptors

InChI

1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
Boiling Point 215.5 deg C   EXP
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 5.00E+04 mg/L 25 EXP
Vapor Pressure 0.016 mm Hg 25 EST
Henry's Law Constant 2.40E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.62E-11 cm3/molecule-sec 25 EST

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