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Name |
4-Octadecyl-o-cresol |
EINECS | 298-110-9 |
CAS No. | 93777-76-5 | Density | 0.899 g/cm3 |
PSA | 20.23000 | LogP | 8.50460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C25H44O | Boiling Point | 470.44 °C at 760 mmHg |
Molecular Weight | 360.624 | Flash Point | 221.648 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
o-Cresol,4-octadecyl- (6CI);2-Methyl-4-octadecylphenol; |
The 4-Octadecyl-o-cresol, with the CAS registry number 93777-76-5, is also known as Phenol, 2-methyl-4-octadecyl-. Its EINECS number is 298-110-9. This chemical's molecular formula is C25H44O and molecular weight is 360.62. What's more, its systematic name is 2-Methyl-4-octadecylphenol.
Physical properties of 4-Octadecyl-o-cresol are: (1)ACD/LogP: 11.435 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 11.44; (3)ACD/LogD (pH 7.4): 11.44; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 10000000.00; (7)ACD/KOC (pH 7.4): 10000000.00; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 18; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 116.635 cm3; (14)Molar Volume: 401.064 cm3; (15)Polarizability: 46.238×10-24cm3; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 0.899 g/cm3; (18)Flash Point: 221.648 °C; (19)Enthalpy of Vaporization: 76.101 kJ/mol; (20)Boiling Point: 470.44 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1C)CCCCCCCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C25H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25(26)23(2)22-24/h20-22,26H,3-19H2,1-2H3
(3)Std. InChIKey: YZNQWZJMXAWHAO-UHFFFAOYSA-N