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35050-88-5

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Basic Information
CAS No.: 35050-88-5
Name: 2,6-DIETHYL-4-METHYLPHENOL
Article Data: 7
Molecular Structure:
Molecular Structure of 35050-88-5 (2,6-DIETHYL-4-METHYLPHENOL)
Formula: C11H16O
Molecular Weight: 164.247
Synonyms: p-Cresol,2,6-diethyl- (6CI);2,6-Diethyl-4-methylphenol;2,6-Diethyl-4-methyl-phenol;
Density: 0.967 g/cm3
Melting Point: 48-48.5 °C
Boiling Point: 242.8 °C at 760 mmHg
Flash Point: 109 °C
PSA: 20.23000
LogP: 2.82540
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Specification

The Phenol,2,6-diethyl-4-methyl-, with the CAS registry number 35050-88-5, is also known as 2,6-Diethyl-4-methyl-phenol. This chemical's molecular formula is C11H16O and molecular weight is 164.24. What's more, its systematic name is 2,6-diethyl-4-methylphenol.

Physical properties of Phenol,2,6-diethyl-4-methyl- are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/BCF (pH 5.5): 566.13; (5)ACD/BCF (pH 7.4): 565.95; (6)ACD/KOC (pH 5.5): 3251.91; (7)ACD/KOC (pH 7.4): 3250.87; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 52.05 cm3; (14)Molar Volume: 169.7 cm3; (15)Surface Tension: 35 dyne/cm; (16)Density: 0.967 g/cm3; (17)Flash Point: 109 °C; (18)Enthalpy of Vaporization: 49.93 kJ/mol; (19)Boiling Point: 242.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0213 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC(=CC(=C1O)CC)C
(2)InChI: InChI=1S/C11H16O/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7,12H,4-5H2,1-3H3
(3)InChIKey: HFVTUNMAGWBDGI-UHFFFAOYSA-N