Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(4-Octanoylphenyl)ethyl acetate |
EINECS | N/A |
CAS No. | 162358-03-4 | Density | 1.004 g/cm3 |
PSA | 43.37000 | LogP | 4.33540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H26O3 | Boiling Point | 406.564 °C at 760 mmHg |
Molecular Weight | 290.403 | Flash Point | 176.039 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-; |
Article Data | 7 |
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