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Substance Name: Hexyl nicotinate
RN: 23597-82-2
UNII: BN07PB44IV
InChIKey: RVYGVBZGSFLJKH-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N-O2

Molecular Weight

  • 207.271
 
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Names and Synonyms

Name of Substance

  • 3-Pyridinecarboxylic acid, hexyl ester
  • Hexyl 3-pyridinecarboxylate
  • Hexyl nicotinate

Synonyms

  • AI3-15769
  • EINECS 245-767-4
  • Hexyl nicotinate
  • Hexyl nicotinoate
  • Nicotherm
  • Nicotinic acid, hexyl ester
  • Nicotinsaeure-n-hexylester
  • NSC 72758
  • UNII-BN07PB44IV

Systematic Names

  • 3-Pyridinecarboxylic acid, hexyl ester
  • Hexyl nicotinate

Registry Numbers

CAS Registry Number

  • 23597-82-2

FDA UNII

  • BN07PB44IV

System Generated Number

  • 0023597822

Structure Descriptors

InChI

1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3

InChIKey

RVYGVBZGSFLJKH-UHFFFAOYSA-N

Smiles

CCCCCCOC(c1cnccc1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.51 (none)   EXP
Water Solubility 460 mg/L 25 EXP
Vapor Pressure 9.95E-04 mm Hg 25 EST
Henry's Law Constant 1.87E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.51E-12 cm3/molecule-sec 25 EST

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