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Substance Name: Butyl heptanoate
RN: 5454-28-4
UNII: 0Y61V5656M
InChIKey: YPQSPODHFDGVAC-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Name of Substance

  • Butyl heptanoate

Synonyms

  • AI3-30738
  • Butyl heptanoate
  • Butyl heptoate
  • Butyl heptylate
  • EINECS 226-707-6
  • FEMA No. 2199
  • Heptanoic acid, butyl ester
  • NSC 23048
  • UNII-0Y61V5656M

Systematic Names

  • Butyl heptanoate
  • Heptanoic acid, butyl ester

Superlist Name

  • Butyl heptanoate

Registry Numbers

CAS Registry Number

  • 5454-28-4

FDA UNII

  • 0Y61V5656M

System Generated Number

  • 0005454284

Structure Descriptors

InChI

1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3

InChIKey

YPQSPODHFDGVAC-UHFFFAOYSA-N

Smiles

C(CCCCCC)(OCCCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.75E+01 deg C   EXP
Boiling Point 226.2 deg C   EXP
log P (octanol-water) 4.300 (none)   EST
Water Solubility 10.9 mg/L 25 EST
Vapor Pressure 0.080 mm Hg 25 EST
Henry's Law Constant 1.69E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-11 cm3/molecule-sec 25 EST

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