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| CAS No.: | 4098-06-0 |
|---|---|
| Name: | 3,4,6-Tri-O-acetyl-D-galactal |
| Molecular Structure: | |
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| Formula: | C12H16O7 |
| Molecular Weight: | 272.255 |
| Synonyms: | D-arabino-Hex-5-enitol,2,6-anhydro-5-deoxy-, triacetate (9CI);D-lyxo-Hex-1-enopyranose, 1,2-dideoxy-,triacetate (8CI);Galactal, triacetate (6CI);D-Galactal triacetate;Tri-O-acetyl-D-galactal;Triacetyl-D-galactal;Triacetylgalactal; |
| EINECS: | 223-859-5 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 34-38 °C(lit.) |
| Boiling Point: | 343.1 °C at 760 mmHg |
| Flash Point: | 149.3 °C |
| Solubility: | insoluble in water |
| Appearance: | pale yellow oil |
| Safety: | 23-24/25 |
| PSA: | 88.13000 |
| LogP: | 0.32540 |
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Chemistry
Molecular Structure of 2,6-Anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate (CAS NO.4098-06-0):
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IUPAC Name: [(2R,3R,4R)-4-acetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyran-3-yl] acetate
Empirical Formula: C12H16O7
Molecular Weight: 272.2512
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 88.13Å2
Index of Refraction: 1.483
Molar Refractivity: 62.71 cm3
Molar Volume: 219.2 cm3
Surface Tension: 42.3 dyne/cm
Density: 1.24 g/cm3
Flash Point: 149.3 °C
Enthalpy of Vaporization: 58.69 kJ/mol
Boiling Point: 343.1 °C at 760 mmHg
Vapour Pressure: 7.2E-05 mmHg at 25°C
Melting Point: 34-38 °C(lit.)
Alpha -20 º (c=1 CHCl3)
Storage temp: Refrigerator (+4°C)
Water Solubility: Insoluble
InChI
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3
Smiles
O([C@@H]1[C@@H](C=CO[C@@H]1COC(=O)C)OC(=O)C)C(=O)C
EINECS: 223-859-5
Product Categories: Sugars, Carbohydrates & Glucosides; 13C & 2H Sugars; Biochemistry; Galactose; Glycals; O-Substituted Sugars; Sugars; Carbohydrates & Derivatives
Safety Profile
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Specification
2,6-Anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate , with CAS number of 4098-06-0, can be called (-)-Tri-o-acetyl-d-galactal ; tri-o-acetyl-d-galactal ; d-galactal triacetate ; 3,4,6-tri-o-acetyl-d-galactal ; 3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-lyxo-hex-1-enitol ; 3,4,6-tri-o-acetyl-1,5-anhydro-d-lyxo-hex-1-enitol ; 1,2-dideoxy-3,4,6-tri-o-acetyl-d-lyxo-1-hexenopyranose ; 1,5-anhydro-2-deoxy-d-lyxo-hex-1-enitol 3,4,6-tri-o-acetyl ether . It is a pale yellow oil.