1,1-Bis(3,4-dimethylphenyl)ethane supplier

Name
1,1-Bis(3,4-dimethylphenyl)ethane
EINECS 217-108-0
CAS No. 1742-14-9
Article Data9
CAS DataBase
Density 0.949 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₂
Boiling Point 345.835 °C at 760 mmHg
Molecular Weight 238.373
Flash Point 173.531 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethane,1,1-di-3,4-xylyl- (8CI);1,1-Di-3,4-xylylethane;
PSA 0.00000
LogP 5.07200

1,1-Bis(3,4-dimethylphenyl)ethane Specification

The 1,1-Bis(3,4-dimethylphenyl)ethane, with the CAS registry number 1742-14-9 and EINECS registry number 217-108-0, has the systematic name of 1,1'-ethane-1,1-diylbis(3,4-dimethylbenzene). It belongs to the category of Industrial/Fine Chemicals. And the molecular formula of the chemical is C₁₈H₂₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.39; (4)ACD/LogD (pH 7.4): 6.39; (5)ACD/BCF (pH 5.5): 42657.68; (6)ACD/BCF (pH 7.4): 42657.68; (7)ACD/KOC (pH 5.5): 71735.62; (8)ACD/KOC (pH 7.4): 71735.62; (9)#H bond acceptors: 0#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 0 Å²; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 79.5 cm³; (14)Molar Volume: 251.1 cm³; (15)Polarizability: 31.51×10^-24cm³; (16)Surface Tension: 34.1 dyne/cm; (17)Density: 0.948 g/cm³; (18)Flash Point: 173.5 °C; (19)Enthalpy of Vaporization: 56.66 kJ/mol; (20)Boiling Point: 345.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00012 mmHg at 25°C.

Preparation of 1,1-Bis(3,4-dimethylphenyl)ethane: This chemical can be prepared by 2-methoxy-propionic acid and 1,2-dimethyl-benzene. The reaction will need reagent P₂O₅ and MsOH, and the reaction time is 48 hours with ambient temperature, and the yield is about 74%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(ccc(c1C)C)C(c2ccc(c(c2)C)C)C
(2)InChI: InChI=1/C18H22/c1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18/h6-11,16H,1-5H3
(3)InChIKey: NCSVCMFDHINRJE-UHFFFAOYAH

Product Name

1,1-Bis(3,4-dimethylphenyl)ethane

1,1-Bis(3,4-dimethylphenyl)ethane Specification

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