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Substance Name: 3,5-Xylyloxyacetic acid
RN: 5406-14-4
InChIKey: NIPZZANLNKBKIS-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-O3

Molecular Weight

  • 180.202
 
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Names and Synonyms

Synonyms

  • AI3-16550
  • EINECS 226-462-5

Systematic Names

  • 3,5-Xylyloxyacetic acid
  • Acetic acid, (3,5-dimethylphenoxy)-

Registry Numbers

CAS Registry Number

  • 5406-14-4

System Generated Number

  • 0005406144

Structure Descriptors

InChI

1S/C10H12O3/c1-7-3-8(2)5-9(4-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChIKey

NIPZZANLNKBKIS-UHFFFAOYSA-N

Smiles

O=C(COc1cc(cc(c1)C)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.420 (none)   EST
Water Solubility 800 mg/L 20 EXP
Atmospheric OH Rate Constant 1.52E-10 cm3/molecule-sec 25 EST

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