1,5-Hexadiene-3,4-diol

The Hexa-1,5-diene-3,4-diol, with the CAS registry number 1069-23-4 and EINECS registry number 213-955-5, has the systematic name and IUPAC name of hexa-1,5-diene-3,4-diol. It belongs to the following product categories: Pharmaceutical Intermediates; Alcohols; Monomers; Polymer Science. And the molecular formula of the chemical is C₆H₁₀O₂.

The physical properties of Hexa-1,5-diene-3,4-diol are as followings: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.23; (8)ACD/KOC (pH 7.4): 23.23; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 32.28 cm³; (15)Molar Volume: 113.5 cm³; (16)Polarizability: 12.79×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.005 g/cm³; (19)Flash Point: 92.8 °C; (20)Enthalpy of Vaporization: 50.97 kJ/mol; (21)Boiling Point: 201.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0737 mmHg at 25°C.

Uses of Hexa-1,5-diene-3,4-diol: It can react with 2,2-dimethoxy-propane to produce 2,2-dimethyl-4,5-divinyl-[1,3]dioxolane. This reaction will need reagent p-TsOH-H₂O, and the menstruum CH₂Cl₂. The reaction time is 8 hours with temperature of 20°C, and the yield is about 88%.

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: OC(\C=C)C(O)\C=C
(2)InChI: InChI=1/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
(3)InChIKey: KUQWZSZYIQGTHT-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	400uL/kg (0.4mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LD50	oral	1620uL/kg (1.62mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.