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60834-76-6

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Basic Information
CAS No.: 60834-76-6
Name: 2,5-diisopropyl-3,4-xylenol
Article Data: 1
Molecular Structure:
Molecular Structure of 60834-76-6 (2,5-diisopropyl-3,4-xylenol)
Formula: C14H22O
Molecular Weight: 206.328
Synonyms: 3,4-Dimethyl-2,5-bis(1-methylethyl)phenol;2,5-Diisopropyl-3,4-xylenol;
EINECS: 262-455-3
Density: 0.935 g/cm3
Boiling Point: 304.5 °C at 760 mmHg
Flash Point: 137.1 °C
PSA: 20.23000
LogP: 4.25580
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    2,5-DIISOPROPYL-3,4-XYLENOL

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Specification

The Phenol,3,4-dimethyl-2,5-bis(1-methylethyl)-, with the CAS registry number 60834-76-6, is also known as 2,5-Diisopropyl-3,4-xylenol. This chemical's molecular formula is C14H22O and molecular weight is 206.32. What's more, its systematic name is 3,4-Dimethyl-2,5-bis(1-methylethyl)phenol and its EINECS number is 262-455-3.

Physical properties of Phenol,3,4-dimethyl-2,5-bis(1-methylethyl)- are: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.08; (4)ACD/LogD (pH 7.4): 5.08; (5)ACD/BCF (pH 5.5): 4271.81; (6)ACD/BCF (pH 7.4): 4270.71; (7)ACD/KOC (pH 5.5): 13816.08; (8)ACD/KOC (pH 7.4): 13812.54; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 66.15 cm3; (15)Molar Volume: 220.5 cm3; (16)Polarizability: 26.22×10-24 cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.935 g/cm3; (19)Flash Point: 137.1 °C; (20)Enthalpy of Vaporization: 56.66 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000483 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C=C1C(C)C)O)C(C)C)C
(2)InChI: InChI=1S/C14H22O/c1-8(2)12-7-13(15)14(9(3)4)11(6)10(12)5/h7-9,15H,1-6H3
(3)InChIKey: MEWKMHMKBLDOOH-UHFFFAOYSA-N