1-Ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene supplier

Name
1-ETHOXY-4-(2-P-TOLYLETHYNYL)BENZENE
EINECS
CAS No. 116903-46-9
Density 1.06 g/cm³
Solubility
Melting Point 108 °C
Formula C₁₇H₁₆O
Boiling Point 365.6 °C at 760 mmHg
Molecular Weight 236.31
Flash Point 172.3 °C
Transport Information
Appearance cream
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-ethoxy-4-[(4-methylphenyl)ethynyl]- (9CI);4-Methyl-4'-ethoxytolane;PTP 102;PTP 1O2;
PSA 9.23000
LogP 3.79350

1-Ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene Specification

The 1-Ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene, with the CAS registry number 116903-46-9, is also known as Benzene, 1-ethoxy-4-[2-(4-methylphenyl)ethynyl]-. This chemical's molecular formula is C₁₇H₁₆O and molecular weight is 236.31. Its systematic name is called 1-ethoxy-4-[(4-methylphenyl)ethynyl]benzene.

Physical properties of 1-Ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene: (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): 12358.43; (6)ACD/BCF (pH 7.4): 12358.43; (7)ACD/KOC (pH 5.5): 29553.97; (8)ACD/KOC (pH 7.4): 29553.97; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 74.35 cm³; (14)Molar Volume: 220.9 cm³; (15)Surface Tension: 44.8 dyne/cm; (16)Density: 1.06 g/cm³; (17)Flash Point: 172.3 °C; (18)Enthalpy of Vaporization: 58.78 kJ/mol; (19)Boiling Point: 365.6 °C at 760 mmHg; (20)Vapour Pressure: 3.27E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(C#Cc1ccc(cc1)C)cc2)CC
(2)InChI: InChI=1/C17H16O/c1-3-18-17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,10-13H,3H2,1-2H3
(3)InChIKey: DURDZFYGFXPFAV-UHFFFAOYAJ

Product Name

1-ETHOXY-4-(2-P-TOLYLETHYNYL)BENZENE

1-Ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene Specification

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