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| CAS No.: | 62214-39-5 |
|---|---|
| Name: | 3-BUTENE-1,2-DIOL |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C4H8O2 |
| Molecular Weight: | 88.1063 |
| Synonyms: | 3-Butene-1,2-diol,(S)-;(2S)-3-Butene-1,2-diol;(S)-3-Butene-1,2-diol; |
| EINECS: | 207-835-1 |
| Density: | 1.053g/cm3 |
| Boiling Point: | 196.5 °C at 760 mmHg |
| Flash Point: | 89.3 °C |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | S36-S26 |
| PSA: | 40.46000 |
| LogP: | -0.47440 |
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Specification
The (S)-3-Butene-1,2-diol with cas registry number of 62214-39-5, belongs to the following product categories: (1)Chiral Building Blocks; (2)Organic Building Blocks; (3)Polyols. It has the systematic name of (2S)-but-3-ene-1,2-diol. And it is also named (2S)-But-3-ene-1,2-diol. Its refractive index is 1.461.
Physical properties about this chemical are: (1)ACD/LogP: -0.79; (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: 1.46; (8)Molar Refractivity: 23.33 cm3; (9)Molar Volume: 85 cm3; (10)Polarizability: 9.25×10-24cm3; (11)Surface Tension: 37.9 dyne/cm; (12)Enthalpy of Vaporization: 50.35 kJ/mol; (13)Vapour Pressure: 0.102 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The (S)-3-Butene-1,2-diol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](\C=C)CO;
(2)InChI: InChI=1/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1;
(3)InChIKey: ITMIAZBRRZANGB-BYPYZUCNBO;
(4)Std. InChI: InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1;
(5)Std. InChIKey: ITMIAZBRRZANGB-BYPYZUCNSA-N