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CAS No.: | 44603-18-1 |
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Name: | 1,2,4-BUTANETRIOL |
Molecular Structure: | |
Formula: | C4H10O3 |
Molecular Weight: | 106.06 |
Synonyms: | Butane-1,1,4-triol; |
EINECS: | 221-323-5 |
Density: | 1.213 g/cm3 |
Boiling Point: | 204.03 °C at 760 mmHg |
Flash Point: | 95.3 °C |
Solubility: | at 25 deg C (mg/L): 1e+006 |
Hazard Symbols: | 36/37/38:; |
Risk Codes: | R36/37/38 |
PSA: | 60.69000 |
LogP: | -1.27800 |
The CAS registry number of 1,1,4-Butanetriol is 44603-18-1. In addition, the molecular formula is C4H10O3 and the molecular weight is 106.12. Its systematic name is butane-1,1,4-triol. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: -2.33; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 27.69 Å2; (6)Index of Refraction: 1.486; (7)Molar Refractivity: 25.14 cm3; (8)Molar Volume: 87.4 cm3; (9)Polarizability: 9.96 ×10-24cm3; (10)Surface Tension: 55.6 dyne/cm; (11)Density: 1.213 g/cm3; (12)Flash Point: 95.3 °C; (13)Enthalpy of Vaporization: 51.22 kJ/mol; (14)Boiling Point: 204 °C at 760 mmHg; (15)Vapour Pressure: 0.0648 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCC(O)O
(2)Std. InChI: InChI=1S/C4H10O3/c5-3-1-2-4(6)7/h4-7H,1-3H2
(3)Std. InChIKey: CLQZEZFINZCXFG-UHFFFAOYSA-N