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Substance Name: 1-O-Benzoyl-1,3-propanediol
RN: 6946-99-2
InChIKey: BZISNWGGPWSXTK-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-O3

Molecular Weight

  • 180.202
 
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Names and Synonyms

Name of Substance

  • 1-O-Benzoyl-1,3-propanediol

Synonym

  • AI3-06378

Systematic Name

  • 1,3-Propanediol, monobenzoate

Registry Numbers

CAS Registry Number

  • 6946-99-2

System Generated Number

  • 0006946992

Structure Descriptors

InChI

1S/C10H12O3/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2

InChIKey

BZISNWGGPWSXTK-UHFFFAOYSA-N

Smiles

O=C(c1ccccc1)OCCCO

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.350 (none)   EST
Water Solubility 1.00E+04 mg/L   EXP
Atmospheric OH Rate Constant 8.04E-12 cm3/molecule-sec 25 EST

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