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Substance Name: 3,3-Dimethylphthalide
RN: 1689-09-4
InChIKey: YFBZUWUJSCLVST-UHFFFAOYSA-N

Molecular Formula

  • C10-H10-O2

Molecular Weight

  • 162.187
 
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Names and Synonyms

Synonym

  • EINECS 216-878-5

Systematic Name

  • 3,3-Dimethylphthalide

Registry Numbers

CAS Registry Number

  • 1689-09-4

System Generated Number

  • 0001689094

Structure Descriptors

InChI

1S/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3

InChIKey

YFBZUWUJSCLVST-UHFFFAOYSA-N

Smiles

c1ccc2C(C)(C)OC(=O)c2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.73 (none)   EXP
Water Solubility 2200 mg/L 25 EXP
Vapor Pressure 1.64E-03 mm Hg 25 EST
Henry's Law Constant 2.24E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.25E-12 cm3/molecule-sec 25 EST

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