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CAS No.: | 21129-09-9 |
---|---|
Name: | 1,2-Tetradecanediol |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C14H30O2 |
Molecular Weight: | 230.391 |
Synonyms: | 1,2-Tetradecyleneglycol;NSC 71507;Tetradecane-1,2-diol;Einecs 244-228-0;Tetradecanediol; |
EINECS: | 244-228-0 |
Density: | 0.903 g/cm3 |
Melting Point: | 67 °C |
Boiling Point: | 331.052 °C at 760 mmHg |
Flash Point: | 143.808 °C |
Hazard Symbols: | Xn |
Risk Codes: | R36/37/38; R20/21/22 |
PSA: | 40.46000 |
LogP: | 3.65060 |
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The CAS register number of 1,2-Tetradecanediol is 21129-09-9. It also can be called as Tetradecanediol and the IUPAC name about this chemical is tetradecane-1,2-diol. The molecular formula about this chemical is C14H30O2 and the molecular weight is 230.39. It belongs to the following product categories which include Alcohols; Monomers; Polymer Science and so on.
Physical properties about 1,2-Tetradecanediol are: (1)ACD/LogP: 4.60; (2)ACD/LogD (pH 5.5): 4.596; (3)ACD/LogD (pH 7.4): 4.596; (4)ACD/BCF (pH 5.5): 1832.547; (5)ACD/BCF (pH 7.4): 1832.547; (6)ACD/KOC (pH 5.5): 7538.625; (7)ACD/KOC (pH 7.4): 7538.625; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 40.46 Å2; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 69.938 cm3; (14)Molar Volume: 255.018 cm3; (15)Polarizability: 27.725x10-24cm3; (16)Surface Tension: 34.933 dyne/cm; (17)Density: 0.903 g/cm3; (18)Flash Point: 143.808 °C; (19)Enthalpy of Vaporization: 66.475 kJ/mol; (20)Boiling Point: 331.052 °C at 760 mmHg.
Uses of 1,2-Tetradecanediol: it can be used to produce 3,6-didodecyl-[1,4]dioxane-2,5-diol. This reaction will need reagents of NaOCl, 2,2,6,6-tetramethylpiperidinyl-1-oxy, NaHCO3, KBr, tetrabutylammonium chloride, brine and solvents of CH2Cl2, H2O. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 71%.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCC(CO)O
(2)InChI: InChI=1/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3
(3)InChIKey: DWANEFRJKWXRSG-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3
(5)Std. InChIKey: DWANEFRJKWXRSG-UHFFFAOYSA-N