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2-Butene-1,4-diol

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Name

2-Butene-1,4-diol

EINECS 203-787-0
CAS No. 110-64-5 Density 1.059 g/cm3
PSA 40.46000 LogP -0.47280
Solubility 131.4 at 12 mm Hg Melting Point 4-10 °C(lit.)
Formula C4H8O2 Boiling Point 235 °C at 760 mmHg
Molecular Weight 88.1063 Flash Point 85.4 °C
Transport Information N/A Appearance clear to pale yellow liquid
Safety 23-24/25-36-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 110-64-5 (2-Butene-1,4-diol) Hazard Symbols HarmfulXn
Synonyms

1,4-Dihydroxy-2-butene;NSC 976;NSC 1260;

Article Data 71

2-Butene-1,4-diol Specification

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%.

(Z)-2-Butene-1,4-diol can be prepared by but-2-yne-1,4-diol at the ambient temperature

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%.

(Z)-2-Butene-1,4-diol can be used to produce 1,4-dibromo-but-2c-ene at the ambient temperature

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 

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