Molecular Structure of 3(2H)-Furanone,5-ethyl-4-hydroxy-2-methyl- (CAS NO.27538-09-6):
IUPAC Name: 5-Ethyl-4-hydroxy-2-methylfuran-3-one
Molecular Formula: C7H10O3
Molecular Weight: 142.15
EINECS: 248-513-0
FEMA: 3623
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Index of Refraction: 1.501
Molar Refractivity: 35.4 cm3
Molar Volume: 120 cm3
Surface Tension: 39.6 dyne/cm
Density: 1.183 g/cm3
Flash Point: 93.5 °C
Enthalpy of Vaporization: 54.36 kJ/mol
Boiling Point: 231 °C at 760 mmHg
Vapour Pressure: 0.0121 mmHg at 25 °C
Canonical SMILES: CCC1=C(C(=O)C(O1)C)O
InChI: InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h4,9H,3H2,1-2H3
InChIKey: QJYOEDXNPLUUAR-UHFFFAOYSA-N
Safety Information of 3(2H)-Furanone,5-ethyl-4-hydroxy-2-methyl- (CAS NO.27538-09-6):
WGK Germany: 3
RTECS: LU4250000
3(2H)-Furanone,5-ethyl-4-hydroxy-2-methyl- (CAS NO.27538-09-6), its Synonyms are 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone ; 4-Hydroxy-5-ethyl-2-methyl-3(2H)-furanone ; 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone ; 5-Ethyl-4-hydroxy-2-methylfuran-3(2H)-one .
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