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Name |
Phenol,3,4-dimethyl-2,5-bis(1-methylethyl)- |
EINECS | 262-455-3 |
CAS No. | 60834-76-6 | Density | 0.935 g/cm3 |
PSA | 20.23000 | LogP | 4.25580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H22O | Boiling Point | 304.5 °C at 760 mmHg |
Molecular Weight | 206.328 | Flash Point | 137.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,4-Dimethyl-2,5-bis(1-methylethyl)phenol;2,5-Diisopropyl-3,4-xylenol; |
Article Data | 1 |
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