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Name |
Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)- |
EINECS | 220-075-5 |
CAS No. | 2622-83-5 | Density | 1.013 g/cm3 |
PSA | 20.23000 | LogP | 5.05750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H22O | Boiling Point | 358.3 °C at 760 mmHg |
Molecular Weight | 254.37 | Flash Point | 167.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenol,4-sec-butyl-2-(a-methylbenzyl)-(7CI,8CI);4-sec-Butyl-2-(a-methylbenzyl) phenol;NSC 97296;Phenol, p-sec-butyl-o-(a-methylbenzyl)-;4-(Butan-2-yl)-2-(1-phenylethyl)phenol; |
The Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)-, with the CAS registry number 2622-83-5, is also known as 4-sec-Butyl-2-(a-methylbenzyl) phenol. This chemical's molecular formula is C18H22O and molecular weight is 254.37. What's more, its systematic name is 4-(Butan-2-yl)-2-(1-phenylethyl)phenol and its EINECS number is 220-075-5.
Physical properties of Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)- are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12390.15; (6)ACD/BCF (pH 7.4): 12370.04; (7)ACD/KOC (pH 5.5): 29608.08; (8)ACD/KOC (pH 7.4): 29560.01; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 80.9 cm3; (15)Molar Volume: 251 cm3; (16)Polarizability: 32.07×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.013 g/cm3; (19)Flash Point: 167.3 °C; (20)Enthalpy of Vaporization: 62.76 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C1=CC(=C(C=C1)O)C(C)C2=CC=CC=C2
(2)InChI: InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3
(3)InChIKey: QJNBIFRUSFIANU-UHFFFAOYSA-N