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| CAS No.: | 26171-83-5 |
|---|---|
| Name: | 1,2-Butanediol |
| Molecular Structure: | |
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| Formula: | C4H10O2 |
| Molecular Weight: | 90.1222 |
| Synonyms: | (+/-)-1,2-BUTANEDIOL;1,2-BUTANEDIOL;1,2-BUTYLENE GLYCOL;1,2-DIHYDROXYBUTANE;1,2-BUTANEDIOL 98%;(±)1,2-Butaneiol |
| EINECS: | 209-527-2 |
| Density: | 1.002 g/cm3 |
| Melting Point: | -50℃ |
| Boiling Point: | 190.305 °C at 760 mmHg |
| Flash Point: | 93.333 °C |
| PSA: | 40.46000 |
| LogP: | -0.25040 |
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Specification
This chemical is called Butane-1,2-diol, and it's also named as 1,2-Butanediol. With the molecular formula of C4H10O2, its molecular weight is 90.12. The CAS registry number of this chemical is 26171-83-5. Additionally, its product categories are Pesticide Intermediates; Triazole Fungicides; Fungicide Intermediates. It could be obtained through the hydration of Oxetane.
Other characteristics of the Butane-1,2-diol can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 12.755; (4)ACD/KOC (pH 7.4): 12.755; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.438; (10)Molar Refractivity: 23.609 cm3; (11)Molar Volume: 89.951 cm3; (12)Polarizability: 9.359×10-24cm3; (13)Surface Tension: 37.193 dyne/cm; (14)Density: 1.002 g/cm3; (15)Flash Point: 93.333 °C; (16)Enthalpy of Vaporization: 49.636 kJ/mol; (17)Boiling Point: 190.305 °C at 760 mmHg; (18)Vapour Pressure: 0.148 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCC(CO)O
2.InChI: InChI=1/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
3.InChIKey: BMRWNKZVCUKKSR-UHFFFAOYAV