Benzene,1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]- supplier

Name
1-(4-ETHYLPHENYL)-2-(4-METHOXYPHENYL)ACETYLENE
EINECS
CAS No. 63221-88-5
Article Data9
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point 35℃(N)
Formula C₁₇H₁₆O
Boiling Point 363.5 °C at 760 mmHg
Molecular Weight 236.313
Flash Point 171 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-ethyl-4-[(4-methoxyphenyl)ethynyl]- (9CI);4-Methoxy-4'-ethyltolan;PTP 2O1;p-Methoxy-p'-ethyltolan;
PSA 9.23000
LogP 3.65740

Benzene,1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]- Specification

The Benzene, 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]-, with the CAS registry number 63221-88-5, is also known as 4-[(4-Ethylphenyl)ethynyl]phenyl methyl ether. This chemical's molecular formula is C₁₇H₁₆O and molecular weight is 236.31. What's more, its systematic name is 1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.

Physical properties about Benzene, 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]- are: (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)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 74.35 cm³; (15)Molar Volume: 220.9 cm³; (16)Polarizability: 29.47×10^-24 cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 171 °C; (20)Enthalpy of Vaporization: 58.56 kJ/mol; (21)Boiling Point: 363.5 °C at 760 mmHg; (22)Vapour Pressure: 3.76E-05 mmHg at 25 °C.

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

Product Name

1-(4-ETHYLPHENYL)-2-(4-METHOXYPHENYL)ACETYLENE

Benzene,1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]- Specification

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