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1,14-Tetradecanediol (19812-64-7)

Identification
Name:1,14-Tetradecanediol
Synonyms:Tetradecane-1,14-diol
CAS:19812-64-7
EINECS: 243-341-2
Molecular Formula: C14H30 O2
Molecular Weight: 230.39
InChI: InChI=1S/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2
Molecular Structure: (C14H30O2) Tetradecane-1,14-diol
Properties
Melting Point: 85-90 °C(lit.)
Flash Point: 158.7°C
Boiling Point: 356.1°Cat760mmHg
Density:0.904g/cm3
Refractive index:1.461
Appearance:white crystals
Specification:

The cas register number of 1,14-Tetradecanediol is 19812-64-7. It also can be called as Tetradecane-1,14-diol and the IUPAC Name about this chemical is tetradecane-1,14-diol. When you are using it, please not breathe dust and avoid contact with skin and eyes.

Physical properties about 1,14-Tetradecanediol are: (1)ACD/LogP: 4.18; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 4.18; (4)ACD/BCF (pH 5.5): 889.43; (5)ACD/BCF (pH 7.4): 889.43; (6)ACD/KOC (pH 5.5): 4493.41; (7)ACD/KOC (pH 7.4): 4493.41; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 15; (11)Polar Surface Area: 18.46Å2; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 69.97 cm3; (14)Molar Volume: 254.6 cm3; (15)Polarizability: 27.74x10-24cm3; (16)Surface Tension: 35.7 dyne/cm; (17)Enthalpy of Vaporization: 69.62 kJ/mol; (18)Boiling Point: 356.1 °C at 760 mmHg; (19)Vapour Pressure: 1.68E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by tetradecanedioic acid at Ambient temperature. This reaction will need reagent LiAlH4 and tetrahydrofuran. The yield is about 91%.

Uses of 1,14-Tetradecanediol: it can be used to produce 14-bromo-tetradecan-1-ol. This reaction will need reagent diethyl ether and hydrogen bromide.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCCCCCCCCO
(2)InChI: InChI=1/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2
(3)InChIKey: XLKZJJVNBQCVIX-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2
(5)Std. InChIKey: XLKZJJVNBQCVIX-UHFFFAOYSA-N

Flash Point: 158.7°C
Safety Data