4-Pentylphenyl 4-(trans-4-butylcyclohexyl)benzoate supplier

Name
4-Pentylphenyl-4'-Trans-ButylcyclohexylBenzoate
EINECS
CAS No. 90937-41-0
Article Data2
CAS DataBase
Density 0.999 g/cm³
Solubility
Melting Point
Formula C₂₈H₃₈O₂
Boiling Point 526.538 °C at 760 mmHg
Molecular Weight 406.609
Flash Point 222.577 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 4-(4-butylcyclohexyl)-, 4-pentylphenyl ester, trans-;
PSA 26.30000
LogP 8.10250

4-Pentylphenyl 4-(trans-4-butylcyclohexyl)benzoate Specification

This chemical is called 4-Pentylphenyl 4-(trans-4-butylcyclohexyl)benzoate, and its systematic name is (4-pentylphenyl) 4-(4-butylcyclohexyl)benzoate. With the molecular formula of C₂₈H₃₈O₂, its molecular weight is 406.60. The CAS registry number of this chemical is 90937-41-0. In addtion, this chemical is often used as Intermediate of Liquid Crystal.

Other characteristics of the 4-Pentylphenyl 4-(trans-4-butylcyclohexyl)benzoate can be summarised as followings: (1)ACD/LogP: 9.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.81; (4)ACD/LogD (pH 7.4): 9.81; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5169613.5; (8)ACD/KOC (pH 7.4): 5169613.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 125.8 cm³; (15)Molar Volume: 406.978 cm³; (16)Polarizability: 49.871×10^-24cm³; (17)Surface Tension: 38.032 dyne/cm; (18)Density: 0.999 g/cm³; (19)Flash Point: 222.577 °C; (20)Enthalpy of Vaporization: 80.091 kJ/mol; (21)Boiling Point: 526.538 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCc1ccc(cc1)OC(=O)c2ccc(cc2)[C@H]3CC[C@@H](CC3)CCCC
(2)InChI: InChI=1/C28H38O2/c1-3-5-7-9-23-12-20-27(21-13-23)30-28(29)26-18-16-25(17-19-26)24-14-10-22(11-15-24)8-6-4-2/h12-13,16-22,24H,3-11,14-15H2,1-2H3/t22-,24-
(3)InChIKey: QIEMVWGALIVVIT-HCGLCNNCBD

Product Name

4-Pentylphenyl-4'-Trans-ButylcyclohexylBenzoate

4-Pentylphenyl 4-(trans-4-butylcyclohexyl)benzoate Specification

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