4-Methylphenyl trans-4-(4-pentylcyclohexyl)benzoate supplier

Name
4-Methylphenyl trans-4-(4-pentylcyclohexyl)benzoate
EINECS
CAS No. 91225-15-9
Density 1.019 g/cm³
Solubility
Melting Point
Formula C₂₅H₃₂O₂
Boiling Point 483.7 °C at 760 mmHg
Molecular Weight 364.528
Flash Point 204.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-METHYLPHENYL TRANS-4-(4-PENTYLCYCLOHEXYL)BENZOATE;
PSA 26.30000
LogP 7.06830

4-Methylphenyl trans-4-(4-pentylcyclohexyl)benzoate Specification

The CAS register number of 4-Methylphenyl trans-4-(4-pentylcyclohexyl)benzoate is 91225-15-9. The systematic name about this chemical is 4-methylphenyl 4-(4-pentylcyclohexyl)benzoate. The molecular formula about this chemical is C₂₅H₃₂O₂ and the molecular weight is 364.52.

Physical properties about 4-Methylphenyl trans-4-(4-pentylcyclohexyl)benzoate are: (1)ACD/LogP: 9.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.19; (4)ACD/LogD (pH 7.4): 9.19; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2370525; (8)ACD/KOC (pH 7.4): 2370525; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 111.8 cm³; (14)Molar Volume: 357.4 cm³; (15)Polarizability: 44.32x10^-24cm³; (16)Surface Tension: 38.8 dyne/cm; (17)Flash Point: 204.8 °C; (18)Enthalpy of Vaporization: 74.89 kJ/mol; (19)Boiling Point: 483.7 °C at 760 mmHg; (20)Vapour Pressure: 1.63E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)OC(=O)c2ccc(cc2)C3CCC(CCCCC)CC3
(2)InChI: InChI=1/C25H32O2/c1-3-4-5-6-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25(26)27-24-17-7-19(2)8-18-24/h7-8,13-18,20-21H,3-6,9-12H2,1-2H3
(3)InChIKey: GTJATSCGEHUKEH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C25H32O2/c1-3-4-5-6-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25(26)27-24-17-7-19(2)8-18-24/h7-8,13-18,20-21H,3-6,9-12H2,1-2H3
(5)Std. InChIKey: GTJATSCGEHUKEH-UHFFFAOYSA-N

Product Name

4-Methylphenyl trans-4-(4-pentylcyclohexyl)benzoate

4-Methylphenyl trans-4-(4-pentylcyclohexyl)benzoate Specification

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