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Substance Name: Monobutyrin
RN: 557-25-5
UNII: 0YT8423E8U
InChIKey: RIEABXYBQSLTFR-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O4

Molecular Weight

  • 162.184
 
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Names and Synonyms

Name of Substance

  • Monobutyrin

Synonyms

  • alpha-Monobutyrin
  • EINECS 209-165-5
  • Glycerol-alpha-mono-n-butyrate
  • NSC 8451
  • UNII-0YT8423E8U

Systematic Names

  • 2,3-Dihydroxypropyl butyrate
  • Butanoic acid, 2,3-dihydroxypropyl ester
  • Butyrin, 1-mono- (8CI)

Registry Numbers

CAS Registry Number

  • 557-25-5

FDA UNII

  • 0YT8423E8U

Other Registry Number

  • 116909-74-1

System Generated Number

  • 0000557255

Structure Descriptors

InChI

1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3

InChIKey

RIEABXYBQSLTFR-UHFFFAOYSA-N

Smiles

O(C[C@@H](CO)O)C(CCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 280 deg C   EXP
log P (octanol-water) -0.17 (none)   EXP
Water Solubility 7500 mg/L 25 EXP
Vapor Pressure 2.64E-04 mm Hg 25 EST
Henry's Law Constant 7.28E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.81E-11 cm3/molecule-sec 25 EST

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