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Substance Name: Butyl nicotinate
RN: 6938-06-3
UNII: LD3V8A23CV
InChIKey: DQULIMIQTCDUAN-UHFFFAOYSA-N

Molecular Formula

  • C10-H13-N-O2

Molecular Weight

  • 179.218
 
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Names and Synonyms

Name of Substance

  • Butyl nicotinate

Synonyms

  • 3-Pyridinecarboxylic acid, butyl ester
  • 5-22-02-00060 (Beilstein Handbook Reference)
  • AI3-15771
  • Ba 2674
  • BRN 0132654
  • Butyl nicotinate
  • Butylnicotinate
  • EINECS 230-064-7
  • n-Butyl nicotinate
  • N-Butyl-nicotinate
  • Nicotinic acid, butyl ester
  • NSC 27863
  • NSC 53506
  • UNII-LD3V8A23CV

Systematic Names

  • 3-Pyridinecarboxylic acid, butyl ester
  • Butyl nicotinate
  • Nicotinic acid, butyl ester

Registry Numbers

CAS Registry Number

  • 6938-06-3

FDA UNII

  • LD3V8A23CV

Other Registry Numbers

  • 123574-73-2
  • 93-93-6

System Generated Number

  • 0006938063

Structure Descriptors

InChI

1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3

InChIKey

DQULIMIQTCDUAN-UHFFFAOYSA-N

Smiles

O=C(OCCCC)c1cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 63mg/kg (63mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 46, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.27 (none)   EXP
Water Solubility 2610 mg/L 25 EXP
Vapor Pressure 8.51E-03 mm Hg 25 EST
Henry's Law Constant 1.06E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.69E-12 cm3/molecule-sec 25 EST

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