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CAS No.: | 73522-17-5 |
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Name: | (S)-1,2-Butanediol |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4H10O2 |
Molecular Weight: | 90.1222 |
Synonyms: | 1,2-Butanediol,(S)-;(+)-1,2-Butanediol;(S)-1,2-Butanediol; |
Density: | 1.001 g/cm3 |
Boiling Point: | 190.3 °C at 760 mmHg |
Flash Point: | 93.3 °C |
Risk Codes: | 36 |
Safety: | 26-36 |
PSA: | 40.46000 |
LogP: | -0.25040 |
The (S)-1,2-Butanediol, with the CAS registry number 73522-17-5, is also known as 1,2-Butanediol, (2S)-. This chemical's molecular formula is C4H10O2 and molecular weight is 90.12. What's more, its systematic name is called (2S)-Butane-1,2-diol.
Physical properties about this chemical are: (1) ACD/LogP: -0.81; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 18.46 Å2; (7) Index of Refraction: 1.437; (8) Molar Refractivity: 23.6 cm3; (9) Molar Volume: 89.9 cm3; (10) Surface Tension: 37.1 dyne/cm; (11) Density: 1.001 g/cm3; (12) Flash Point: 93.3 °C; (13) Enthalpy of Vaporization: 49.64 kJ/mol; (14) Boiling Point: 190.3 °C at 760 mmHg; (15) Vapour Pressure: 0.148 mmHg at 25 °C.
Preparation of (S)-1,2-Butanediol: this chemical is prepared by reaction of 1,2-Diacetoxy-butane.
The reaction occurs with reagent Methanol, CHCl3 and at ambient temperature for 120 hours. The yield is 53%.
Uses of (S)-1,2-Butanediol: it is used to produce other chemicals. For example, it is used to produce 1,1'-Oxybisbutan-2-ol.
This reaction needs reagent Na at ambient temperature. The reaction time is 16 hours. The yield is 60%.
You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H](CC)CO
(2) InChI: InChI=1/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
(3) InChIKey: BMRWNKZVCUKKSR-BYPYZUCNBC