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| CAS No.: | 506-52-5 |
|---|---|
| Name: | 1-Hexacosanol |
| Molecular Structure: | |
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| Formula: | C26H54O |
| Molecular Weight: | 382.714 |
| Synonyms: | Cerylalcohol (6CI);Cerotyl alcohol;Cerylic alcohol;Hexacosylalcohol;NSC 4058;n-Hexacosanol; |
| EINECS: | 208-044-4 |
| Density: | 0.84 g/cm3 |
| Melting Point: | 78-80 °C |
| Boiling Point: | 411.9 °C at 760 mmHg |
| Flash Point: | 139.2 °C |
| Appearance: | white powder |
| Safety: | 22-24/25 |
| PSA: | 20.23000 |
| LogP: | 9.36100 |
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Specification
The 1-Hexacosanol, with the CAS registry number 506-52-5 and EINECS registry number 208-044-4, has the systematic name of hexacosan-1-ol. It is a kind of white powder, and belongs to the following product categories: Industrial/Fine Chemicals; 1-Alkanols; Biochemistry; Higher Fatty Acids & Higher Alcohols; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Saturated Higher Alcohols. And the molecular formula of the chemical is C26H54O. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of 1-Hexacosanol are as followings: (1)ACD/LogP: 12.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.56; (4)ACD/LogD (pH 7.4): 12.56; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 124.03 cm3; (15)Molar Volume: 455.2 cm3; (16)Polarizability: 49.17×10-24cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 139.2 °C; (20)Enthalpy of Vaporization: 76.77 kJ/mol; (21)Boiling Point: 411.9 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-08 mmHg at 25°C.
Preparation and uses of 1-Hexacosanol: It can be prepared by Natural oils catalytic hydrogen, alpha olefins solutions, hydroxyl synthesis and ziegler shaved method. And it is always used as synthetic organic materials.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
(3)InChIKey: IRHTZOCLLONTOC-UHFFFAOYAD