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Substance Name: (3-(1,1-Dimethylethyl)phenoxy)acetic acid
RN: 1878-55-3
InChIKey: TZCJVGQCSABBGD-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.255
 
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Names and Synonyms

Synonym

  • EINECS 217-519-5

Systematic Name

  • (3-(1,1-Dimethylethyl)phenoxy)acetic acid

Registry Numbers

CAS Registry Number

  • 1878-55-3

System Generated Number

  • 0001878553

Structure Descriptors

InChI

1S/C12H16O3/c1-12(2,3)9-5-4-6-10(7-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)

InChIKey

TZCJVGQCSABBGD-UHFFFAOYSA-N

Smiles

OC(=O)COc1cc(C(C)(C)C)ccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.96 (none)   EXP
Water Solubility 292 mg/L 25 EST
Vapor Pressure 8.54E-05 mm Hg 25 EST
Henry's Law Constant 4.33E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.27E-11 cm3/molecule-sec 25 EST

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