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CAS No.: | 52894-25-4 |
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Name: | 1,2,7,8-Octanetetrol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H18O4 |
Molecular Weight: | 178.229 |
Synonyms: | 1,2,7,8-OCTANETETROL;octane-1,2,7,8-tetrol;Einecs 258-241-4 |
EINECS: | 258-241-4 |
Density: | 1.177g/cm3 |
Melting Point: | 82-85 °C |
Boiling Point: | 397.4 °C at 760 mmHg |
Flash Point: | 199.8 °C |
Safety: | 22-24/25 |
PSA: | 80.92000 |
LogP: | -0.74680 |
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The 1,2,7,8-Octanetetrol, with CAS registry number 52894-25-4, belongs to the following product categories: (1)Organic Building Blocks; (2)Oxygen Compounds; (3)Polyols. It has the systematic name of octane-1,2,7,8-tetrol. And the chemical formula of this chemical is C8H18O4. What's more, its EINECS is 258-241-4. When use it, do not breathe dust and avoid contact with skin and eyes.
Physical properties of 1,2,7,8-Octanetetrol: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 45.16 cm3; (15)Molar Volume: 151.3 cm3; (16)Polarizability: 17.9×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.177 g/cm3; (19)Flash Point: 199.8 °C; (20)Enthalpy of Vaporization: 74.89 kJ/mol; (21)Boiling Point: 397.4 °C at 760 mmHg; (22)Vapour Pressure: 5.76E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(O)CCCCC(O)CO
(2)InChI: InChI=1/C8H18O4/c9-5-7(11)3-1-2-4-8(12)6-10/h7-12H,1-6H2
(3)InChIKey: TZSZOUXLMCRLSU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H18O4/c9-5-7(11)3-1-2-4-8(12)6-10/h7-12H,1-6H2
(5)Std. InChIKey: TZSZOUXLMCRLSU-UHFFFAOYSA-N