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Substance Name: Isomaltol
RN: 3420-59-5
UNII: 76NST80C38
InChIKey: HPIGCVXMBGOWTF-UHFFFAOYSA-N

Molecular Weight

  • 126.1104
 
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Names and Synonyms

Name of Substance

  • Isomaltol

Synonyms

  • 2-Acetyl-3-hydroxyfuran
  • Ethanone, 1-(3-hydroxy-2-furanyl)-
  • Ketone, 3-hydroxy-2-furyl methyl
  • UNII-76NST80C38

Registry Numbers

CAS Registry Number

  • 3420-59-5

FDA UNII

  • 76NST80C38

System Generated Number

  • 0003420595

Structure Descriptors

InChI

1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3

InChIKey

HPIGCVXMBGOWTF-UHFFFAOYSA-N

Smiles

c1(c(cco1)O)C(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100 deg C   EXP
log P (octanol-water) 0.320 (none)   EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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