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| CAS No.: | 2425-77-6 |
|---|---|
| Name: | 2-Hexyl-1-decanol |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C16H34O |
| Molecular Weight: | 242.445 |
| Synonyms: | 2-Hexyldecanol;2-Hexyldecyl alcohol;Exxal 16;Guerbet C16;Guerbethexadecanol;Guerbitol 16;Isofol 16;Jarcol I 16;NJCOL 160B;NJCOL 160BR;NJCOL 160BRA;NSC 2399;Rilanit G 16; |
| EINECS: | 219-370-1 |
| Density: | 0.836 g/cm3 |
| Melting Point: | -21~ -15 °C(lit.) |
| Boiling Point: | 304.4 °C at 760 mmHg |
| Flash Point: | 118.6 °C |
| PSA: | 20.23000 |
| LogP: | 5.31590 |
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Specification
The 2-Hexyl-1-decanol, with CAS registry number 2425-77-6, belongs to the following product categories: (1)Alcohols; (2)C9 to C30; (3)Oxygen Compounds. Its systematic name and its IUPAC name are the same, which is 2-hexyldecan-1-ol. What's more, its EINECS is 219-370-1.
Physical properties of 2-Hexyl-1-decanol: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.07; (4)ACD/LogD (pH 7.4): 7.07; (5)ACD/BCF (pH 5.5): 138440.91; (6)ACD/BCF (pH 7.4): 138440.91; (7)ACD/KOC (pH 5.5): 166607.47; (8)ACD/KOC (pH 7.4): 166607.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 77.66 cm3; (15)Molar Volume: 290.5 cm3; (16)Polarizability: 30.79×10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Enthalpy of Vaporization: 63.18 kJ/mol; (19)Vapour Pressure: 8.34E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by Methyl-2-hexyl-decanoat. This reaction will need reagent LAH and solvent tetrahydrofuran. The reaction time is 3 hour(s). The yield is about 82%.
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Uses of 2-Hexyl-1-decanol: it can be used to produce 7-bromomethyl-pentadecane. This reaction will need reagent PBr3.
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You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCCCC)CCCCCC
(2)InChI: InChI=1/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
(3)InChIKey: XULHFMYCBKQGEE-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
(5)Std. InChIKey: XULHFMYCBKQGEE-UHFFFAOYSA-N