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| Name |
4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone |
EINECS | N/A |
| CAS No. | 110516-60-4 | Density | 1.149g/cm3 |
| PSA | 46.53000 | LogP | 0.24050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H10 O3 | Boiling Point | 277.5°Cat760mmHg |
| Molecular Weight | 142.17 | Flash Point | 117°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3(2H)-Furanone,ethyl-4-hydroxymethyl- (9CI); HEMF; Homofuraneol |
4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone Chemical Properties
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
4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone 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. |
4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone 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- .
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