Isomaltol
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Basic information
- CAS
3420-59-5- Standard SMILES
CC(=O)c1occc1O- InChIKey
HPIGCVXMBGOWTF-UHFFFAOYSA-N- Molecular formula
- C6H6O3
- Average molar mass
- 126.11 g/mol
- Monoisotopic mass
- 126.03169405
Names & identifiers
- Preferred name
- Isomaltol
- IUPAC
- 1-(3-hydroxyfuran-2-yl)ethanone
- English name
- 1-(3-hydroxy-2-furyl)ethanone
- Molecular formula
- C6H6O3
- Molecular weight
- 126.11
Names & synonyms
ISOMALTOL3420-59-51-(3-hydroxyfuran-2-yl)ethanoneEthanone, 1-(3-hydroxy-2-furanyl)-2-acetyl-3-hydroxyfuranKetone, 3-hydroxy-2-furyl methyl3-hydroxy-2-furyl methyl ketoneUNII-76NST80C3876NST80C38ISOMALTOL [MI]DTXSID101877903-hydroxyfuran-2-yl methyl ketone
Show more names
Maltol Impurity 93-Hydroxy-2-furyl(methyl) ketone
RefChem:149519DTXCID70110281HPIGCVXMBGOWTF-UHFFFAOYSA-N1-(3-Hydroxy-2-furyl)ethanone1-(3-hydroxyfuran-2-yl)ethan-1-oneMaltol Impurity 14SCHEMBL2781288511-92-6
Database identifiers
- CAS
3420-59-5、88511-92-6- PubChem CID
- 18898
- DTXSID
DTXSID10187790- UNII
- 76NST80C38
- Nikkaji
- J209.320K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 98 · 98-103°
- Boiling point
- 207.3 · 207.3±20.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 9.57 · 9.57±0.10(Predicted)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. burnt caramellic fruity
- Odor Type
- caramellic
- LogP
- 0.688 · 0.688 (est)
- FDA UNII
- 76 NST80C38 · 76NST80C38
Chemistry & industry
Applications
UsesIso-Maltol which has been identified in baked bread, has not achieved the popularity of Mahol, which is also more stable. Maltol is more versatile and lends enormously sweet fruity notes besides of its caramellic effect.
Preparation methods
PreparationIso-Maltol is produced from Lactose via its galactoside.
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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