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Benzene,1-ethoxy-4-(trans-4-propylcyclohexyl)- (80944-44-1)

Identification
Name:Benzene,1-ethoxy-4-(trans-4-propylcyclohexyl)-
Synonyms:Benzene,1-ethoxy-4-(4-propylcyclohexyl)-, trans-;4-(trans-4-Propylcyclohexyl)-1-ethoxybenzene;4-(trans-4-Propylcyclohexyl)ethoxybenzene;4-(trans-4-n-Propylcyclohexyl)ethoxybenzene;4-Ethoxy-1-(trans-4-propylcyclohexyl)benzene;1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene;PEC;trans-1-(p-Ethoxyphenyl)-4-propylcyclohexane;trans-1-Ethoxy-4-(4-propylcyclohexyl)benzene;trans-4-(4-Ethoxyphenyl)-1-propylcyclohexane;trans-4-Propyl-1-(4-ethoxyphenyl)cyclohexane;
CAS:80944-44-1
EINECS: 279-633-1
Molecular Formula: C17H26O
Molecular Weight: 246.39
InChI: InChI=1/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3
Molecular Structure: (C17H26O) Benzene,1-ethoxy-4-(4-propylcyclohexyl)-, trans-;4-(trans-4-Propylcyclohexyl)-1-ethoxybenzene;4-(tra...
Properties
Flash Point: 345.3 °C at 760 mmHg
Boiling Point: 345.3 °C at 760 mmHg
Density:0.928 g/cm3
Refractive index:1.495
Specification:

The IUPAC name of 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene is 1-ethoxy-4-(4-propylcyclohexyl)benzene. With the CAS registry number 80944-44-1, it is also named as trans-p-(4-Propylcyclohexyl)phenetole. The product's categories are Liquid Crystal; Liquid Crystal Material. In addition, its molecular formula is C17H26O and its molecular weight is 246.39. This chemical is used as intermediates of liquid crystals.

The other characteristics of 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene can be summarized as: (1)EINECS: 279-633-1; (2)ACD/LogP: 6.74; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 6.74; (5)ACD/LogD (pH 7.4): 6.74; (6)ACD/BCF (pH 5.5): 77978.68; (7)ACD/BCF (pH 7.4): 77978.68; (8)ACD/KOC (pH 5.5): 110473.03; (9)ACD/KOC (pH 7.4): 110473.03; (10)H bond acceptors: 1; (11)H bond donors: 0; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 9.23 Å2; (14)Index of Refraction: 1.495; (15)Molar Refractivity: 77.38 cm3; (16)Molar Volume: 265.2 cm3; (17)Polarizability: 30.67×10-24cm3; (18)Surface Tension: 32.6 dyne/cm; (19)Density: 0.928 g/cm3; (20)Flash Point: 170.9 °C; (21)Enthalpy of Vaporization: 56.6 kJ/mol; (22)Boiling Point: 345.3 °C at 760 mmHg; (23)Vapour Pressure: 0.000124 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(c1ccc(cc1)C2CCC(CCC)CC2)CC
(2)InChI:InChI=1/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3
(3)InChIKey:OXBRRUNAAVNTOZ-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3
(5)Std. InChIKey:OXBRRUNAAVNTOZ-UHFFFAOYSA-N

Flash Point: 345.3 °C at 760 mmHg
Usage:Intermediates of Liquid Crystals
Safety Data
 

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