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Name |
But-3-ene-1,2-diol |
EINECS | 207-835-1 |
CAS No. | 86161-40-2 | Density | 1.036g/cm3 |
PSA | 40.46000 | LogP | -0.47440 |
Solubility | N/A | Melting Point |
15.1°C (estimate) |
Formula | C4H8O2 | Boiling Point | 196.499 °C at 760 mmHg |
Molecular Weight | 88.1063 | Flash Point | 89.323 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
EPB(TM) DIOL;3-BUTENE-1,2-DIOL;BUT-3-ENE-1,2-DIOL;R,S-3-BUTENE-1,2-DIOL;3,4-DIHYDROXY-1-BUTENE |
Article Data | 88 |
The But-3-ene-1,2-diol, with CAS registry number 86161-40-2, has the systematic name of but-3-ene-1,2-diol. Besides this, it is also called 3-Butene-1,2-diol. This chemical should be stored at the temperature of 0-6°C. And the chemical formula of this chemical is C4H8O2. What's more, its EINECS is 207-835-1.
Physical properties of But-3-ene-1,2-diol: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.54; (5)ACD/KOC (pH 7.4): 13.54; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 40.46 Å2; (10)Index of Refraction: 1.461; (11)Molar Refractivity: 23.334 cm3; (12)Molar Volume: 85.045 cm3; (13)Polarizability: 9.25×10-24cm3; (14)Surface Tension: 37.993 dyne/cm; (15)Density: 1.036 g/cm3; (16)Flash Point: 89.323 °C; (17)Enthalpy of Vaporization: 50.348 kJ/mol; (18)Boiling Point: 196.499 °C at 760 mmHg; (19)Vapour Pressure: 0.102 mmHg at 25°C.
Preparation: this chemical can be prepared by vinyl-oxirane. This reaction will need reagent H2O.
When you are using this chemical, please be cautious about it as the following:
The But-3-ene-1,2-diol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: C=CC(CO)O
(2)InChI: InChI=1/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
(3)InChIKey: ITMIAZBRRZANGB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
(5)Std. InChIKey: ITMIAZBRRZANGB-UHFFFAOYSA-N