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| CAS No.: | 506-51-4 |
|---|---|
| Name: | 1-Tetracosanol |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C24H50O |
| Molecular Weight: | 354.66 |
| Synonyms: | Lignocericalcohol;Lignocerol;Lignoceryl alcohol;NSC 93768;Tetracosanol;Tetracosylalcohol;n-Tetracosanol; |
| EINECS: | 208-043-9 |
| Density: | 0.839 g/cm3 |
| Melting Point: | 75-77 °C |
| Boiling Point: | 394.5 °C at 760 mmHg |
| Flash Point: | 141.7 °C |
| Solubility: | 1μg/L at 25℃ |
| Appearance: | white shiny flakes or fluffy powder |
| Safety: | 22-24/25 |
| PSA: | 20.23000 |
| LogP: | 8.58080 |
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Specification
The 1-Tetracosanol, with the CAS registry number 506-51-4 and EINECS registry number 208-043-9, has the systematic name of tetracosan-1-ol. It is a kind of white shiny flakes or fluffy 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 C24H50O. 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-Tetracosanol are as followings: (1)ACD/LogP: 11.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.5; (4)ACD/LogD (pH 7.4): 11.5; (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#H bond donors: 1; (10)#Freely Rotating Bonds: 23; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 114.77 cm3; (14)Molar Volume: 422.2 cm3; (15)Polarizability: 45.49×10-24cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 0.839 g/cm3; (18)Flash Point: 141.7 °C; (19)Enthalpy of Vaporization: 74.52 kJ/mol; (20)Boiling Point: 394.5 °C at 760 mmHg; (21)Vapour Pressure: 7.34E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C24H50O/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/h25H,2-24H2,1H3
(3)InChIKey: TYWMIZZBOVGFOV-UHFFFAOYAG