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110516-60-4

Basic Information
CAS No.: 110516-60-4
Name: ethyl-4-hydroxymethyl-3(2H)-Furanone
Molecular Structure:
Molecular Structure of 110516-60-4 (ethyl-4-hydroxymethyl-3(2H)-Furanone)
Formula: C7H10 O3
Molecular Weight: 142.17
Synonyms: 3(2H)-Furanone,ethyl-4-hydroxymethyl- (9CI); HEMF; Homofuraneol
Density: 1.149g/cm3
Boiling Point: 277.5°Cat760mmHg
Flash Point: 117°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 46.53000
LogP: 0.24050
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    ethyl-4-hydroxymethyl-3(2H)-furanone

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  • 3(2H)-Furanone, 2(or5)-ethyl-4-hydroxy-5(or 2)-methyl-

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    3(2H)-Furanone, 2(or5)-ethyl-4-hydroxy-5(or 2)-methyl-

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Chemistry

Product Name: 4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone (CAS NO.110516-60-4)


Molecular Formula: C7H10O3
Molecular Weight: 142.17g/mol
Mol File: 110516-60-4.mol
Boiling point: 277.5 °C at 760 mmHg
Flash Point: 117 °C
Density: 1.149 g/cm3
Surface Tension: 37 dyne/cm
Enthalpy of Vaporization: 59.9 kJ/mol
Vapour Pressure: 0.000557 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone (CAS NO.110516-60-4):
  IUPAC Name: 2-Ethyl-4-(hydroxymethyl)furan-3-one
  Canonical SMILES: CCC1C(=O)C(=CO1)CO
  InChI: InChI=1S/C7H10O3/c1-2-6-7(9)5(3-8)4-10-6/h4,6,8H,2-3H2,1H3 
  InChIKey: KXYCNEIORCQEFU-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 2 mg/plate

    FCTOD7    Food and Chemical Toxicology. 36 (1998),305.
2.    

dnd-uns 20 µmol/L

    FCTOD7    Food and Chemical Toxicology. 36 (1998),305.
3.    

mnt-orl-mus 1 g/kg

    MUREAV    Mutation Research. 415 (1998),79.
4.    

mnt-ipr-mus 500 mg/kg

    FCTOD7    Food and Chemical Toxicology. 36 (1998),305.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone , its CAS NO. is 110516-60-4, the synonyms are 2(or 5)-Ethyl-4-hydroxy-5(or 2)-methyl-3(2H)-furanone ; 3(2H)-Furanone, 2(or 5)-ethyl-4-hydroxy-5(or 2)-methyl- .