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Substance Name: Propanoic acid, 2-hydroxy-, octyl ester
RN: 5464-71-1
InChIKey: SFBIZPBTKROSDE-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C11-H22-O3

Molecular Weight

  • 202.292
 
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Names and Synonyms

Synonym

  • AI3-03159

Systematic Name

  • Propanoic acid, 2-hydroxy-, octyl ester

Registry Numbers

CAS Registry Number

  • 5464-71-1

Other Registry Number

  • 129171-90-0

System Generated Number

  • 0005464711

Structure Descriptors

InChI

1S/C11H22O3/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10,12H,3-9H2,1-2H3

InChIKey

SFBIZPBTKROSDE-UHFFFAOYSA-N

Smiles

C(=O)([C@@H](O)C)OCCCCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.760 (none)   EST
Water Solubility 1.08E+04 mg/L 25 EXP
Atmospheric OH Rate Constant 1.26E-11 cm3/molecule-sec 25 EST

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