2-Butene-1,4-diol

The (Z)-2-Butene-1,4-diol, with the CAS registry number 6117-80-2, is also known as cis-1,4-Dihydroxy-2-butene. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 228-085-1. This chemical's molecular formula is C₄H₈O₂ and molecular weight is 88.11. What's more, its systematic name is (2Z)-2-Butene-1,4-diol. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of (Z)-2-Butene-1,4-diol are: (1)ACD/LogP: -0.762; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 9.17; (8)ACD/KOC (pH 7.4): 9.17; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 23.708 cm³; (15)Molar Volume: 83.189 cm³; (16)Polarizability: 9.399×10^-24cm³; (17)Surface Tension: 42.15 dyne/cm; (18)Density: 1.059 g/cm³; (19)Flash Point: 85.384 °C; (20)Enthalpy of Vaporization: 54.834 kJ/mol; (21)Boiling Point: 234.999 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.

Preparation: this chemical can be prepared by but-2-yne-1,4-diol at the ambient temperature. This reaction will need reagent H₂ and solvent ethyl acetate with the reaction time of 16 hours. This reaction will also need catalyst Pd-Hg/SiO₂. The yield is about 92%.

Uses of (Z)-2-Butene-1,4-diol: it can be used to produce 1,4-dibromo-but-2c-ene at the ambient temperature. It will need reagents bromine, triphenylphosphine and solvent acetonitrile with the reaction time of 1 hour. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OC/C=C\CO
(2)Std. InChI: InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
(3)Std. InChIKey: ORTVZLZNOYNASJ-UPHRSURJSA-N