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Substance Name: 3-Methoxy-4-hydroxyphenylethanol
RN: 2380-78-1
UNII: 9A7EE8MS6A
InChIKey: XHUBSJRBOQIZNI-UHFFFAOYSA-N

Note

  • Metabolite of serotonin and norepinephrine.

Molecular Formula

  • C9-H12-O3

Molecular Weight

  • 168.191
 
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Names and Synonyms

Name of Substance

  • 3-Methoxy-4-hydroxyphenylethanol

MeSH Heading

  • 3-Methoxy-4-hydroxyphenylethanol

Synonyms

  • EINECS 219-175-1
  • UNII-9A7EE8MS6A

Systematic Names

  • 4-(2-Hydroxyethyl)guaiacol
  • Benzeneethanol, 4-hydroxy-3-methoxy-

Registry Numbers

CAS Registry Number

  • 2380-78-1

FDA UNII

  • 9A7EE8MS6A

System Generated Number

  • 0002380781

Structure Descriptors

InChI

1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3

InChIKey

XHUBSJRBOQIZNI-UHFFFAOYSA-N

Smiles

c1(cc(ccc1O)CCO)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 40-42 deg C   EXP
log P (octanol-water) 0.47 (none)   EXP
Water Solubility 8.05E+04 mg/L 25 EST
Vapor Pressure 2.04E-05 mm Hg 25 EST
Henry's Law Constant 1.78E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.31E-11 cm3/molecule-sec 25 EST

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