CAS No.162358-03-4,1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	162358-03-4
Name:	1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-
Article Data:	7

Formula:	C₁₈H₂₆O₃
Molecular Weight:	290.403
Synonyms:	1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-;
Density:	1.004 g/cm³
Boiling Point:	406.564 °C at 760 mmHg
Flash Point:	176.039 °C
PSA:	43.37000
LogP:	4.33540

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Specification

2-(4-Octanoylphenyl)ethyl acetate is an organic compound with the formula C₁₈H₂₆O₃, and its systematic name is the same with the product name. With the CAS registry number 162358-03-4, it is also named as 1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-. In addition, the molecular weight is 290.19.

Physical properties of 2-(4-Octanoylphenyl)ethyl acetate are: (1)ACD/LogP: 4.934; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.93; (5)ACD/BCF (pH 5.5): 3308.81; (6)ACD/BCF (pH 7.4): 3308.81; (7)ACD/KOC (pH 5.5): 11507.36; (8)ACD/KOC (pH 7.4): 11507.36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 84.668 cm³; (15)Molar Volume: 289.317 cm³; (16)Polarizability: 33.565×10^-24cm³; (17)Surface Tension: 36.6920013427734 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 176.039 °C; (20)Enthalpy of Vaporization: 65.832 kJ/mol; (21)Boiling Point: 406.564 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCC(=O)c1ccc(CCOC(C)=O)cc1
(2)Std. InChI: InChI=1S/C18H26O3/c1-3-4-5-6-7-8-18(20)17-11-9-16(10-12-17)13-14-21-15(2)19/h9-12H,3-8,13-14H2,1-2H3
(3)Std. InChIKey: YRGCTTARENKHBN-UHFFFAOYSA-N