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| CAS No.: | 1119-87-5 |
|---|---|
| Name: | 1,2-Dodecanediol |
| Molecular Structure: | |
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| Formula: | C12H26O2 |
| Molecular Weight: | 202.337 |
| Synonyms: | 1,2-Dihydroxydodecane;1,2-Dodecylene glycol;2-Hydroxylauryl alcohol;NSC 25930;n-Dodecane-1,2-diol; |
| EINECS: | 214-289-8 |
| Density: | 0.911g/cm3 |
| Melting Point: | 56-60 °C(lit.) |
| Boiling Point: | 304.3 °C at 760 mmHg |
| Flash Point: | 134.3 °C |
| Appearance: | White solide |
| Safety: | 22-24/25 |
| PSA: | 40.46000 |
| LogP: | 2.87040 |
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Specification
The 1,2-Dodecanediol with its cas register number is 1119-87-5. It also can be called as Dodecane-1,2-diol and the IUPAC Name about this chemical is dodecane-1,2-diol. It belongs to the following product categories, such as Organic Building Blocks, Oxygen Compounds, Polyols and so on. When you are using it, please avoid contact with skin and eyes, and also do not breathe dust.
Physical properties about 1,2-Dodecanediol are: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 242.82; (5)ACD/BCF (pH 7.4): 242.82; (6)ACD/KOC (pH 5.5): 1774.19; (7)ACD/KOC (pH 7.4): 1774.19; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 18.46Å2; (12)Index of Refraction: 1.458; (13)Molar Refractivity: 60.67 cm3; (14)Molar Volume: 222 cm3; (15)Polarizability: 24.05x10-24cm3; (16)Surface Tension: 35.1 dyne/cm; (17)Enthalpy of Vaporization: 63.17 kJ/mol; (18)Vapour Pressure: 8.4E-05 mmHg at 25°C
Preparation: this chemical can be prepared by decyl-oxirane. This reaction will need reagent aq. H2SO4.
Uses of 1,2-Dodecanediol: it can be used to produce dodec-1-ene at Ambient temperature. This reaction is a kind of Bromination. It will need reagent imidazole, chlorodiphenylphosphine, I2 and solvent toluene, acetonitrile with reaction time of 16 hours. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCC(CO)O
(2)InChI: InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3
(3)InChIKey: ZITKDVFRMRXIJQ-UHFFFAOYSA-N