Basic information
- Name:
3-O-Ethyl-L-ascorbic acid
- CAS No.:
86404-04-8
- Molecular Structure:
- Formula:
- C8H12O6
- Molecular Weight:
- 204.18
- Synonyms:
- L-Ascorbicacid, 3-O-ethyl-;(5R)-5-[(1S)-1,2-Dihydroxyethyl]-4-ethoxy-3-hydroxy-5H-furan-2-one;
- Density:
- 1.46 g/cm3
- Boiling Point:
- 551.5 °C at 760 mmHg
- Flash Point:
- 228.5 °C
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Chemistry
Molecule structure of 3-O-Ethyl-L-ascorbic acid (CAS NO.86404-04-8):
IUPAC Name: (2R)-2-[(1S)-1,2-Dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
Molecular Weight: 204.17728 g/mol
Molecular Formula: C8H12O6
Density: 1.46 g/cm3
Boiling Point: 551.5 °C at 760 mmHg
Flash Point: 228.5 °C
Index of Refraction: 1.555
Molar Refractivity: 44.65 cm3
Molar Volume: 139 cm3
Surface Tension: 64.2 dyne/cm
Enthalpy of Vaporization: 95.61 kJ/mol
Vapour Pressure: 1.84E-14 mmHg at 25 °C
XLogP3: -1.5
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 204.063388
MonoIsotopic Mass: 204.063388
Topological Polar Surface Area: 96.2
Heavy Atom Count: 14
Canonical SMILES: CCOC1=C(C(=O)OC1C(CO)O)O
Isomeric SMILES: CCOC1=C(C(=O)O[C@@H]1[C@H](CO)O)O
InChI: InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
InChIKey of 3-O-Ethyl-L-ascorbic acid (CAS NO.86404-04-8): ZGSCRDSBTNQPMS-UJURSFKZSA-N
Specification
3-O-Ethyl-L-ascorbic acid (CAS NO.86404-04-8) is also named as (5R)-5-[(1S)-1,2-Dihydroxyethyl]-4-ethoxy-3-hydroxy-5H-furan-2-one ; L-Ascorbic acid, 3-O-ethyl- .
