Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate |
EINECS | 238-430-8 |
CAS No. | 14450-05-6 | Density | 0.969 g/cm3 |
PSA | 105.20000 | LogP | 11.14800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C41H76O8 | Boiling Point | 699.1 °C at 760 mmHg |
Molecular Weight | 697.05 | Flash Point | 273.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Nonanoicacid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester (9CI);Nonanoicacid, neopentanetetrayl ester (7CI,8CI);Pentaerythritol, tetranonanoate (6CI);Afilan PP;Emery 2918D;Liquid 322;Pentaerythritol nonanoate;Pentaerythritoltetrapelargonate;Pentaerythrityl tetrapelargonate;Reolube LP 3600; |
Article Data | 10 |
The CAS registry number of Nonanoic acid,1,1'-[2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester is 14450-05-6. With the EINECS registry number 238-430-8, its systematic name is 3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate. In addition, the molecular formula is C41H76O8. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Nonanoic acid,1,1'-[2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester are: (1)ACD/LogP: 14.88; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.88; (4)ACD/LogD (pH 7.4): 14.88; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 8; (10)#Freely Rotating Bonds: 40; (11)Polar Surface Area: 105.2 Å2; (12)Index of Refraction: 1.465; (13)Molar Refractivity: 199.06 cm3; (14)Molar Volume: 719.2 cm3; (15)Polarizability: 78.91 ×10-24cm3; (16)Surface Tension: 35.6 dyne/cm; (17)Density: 0.969 g/cm3; (18)Flash Point: 273.6 °C; (19)Enthalpy of Vaporization: 102.35 kJ/mol; (20)Boiling Point: 699.1 °C at 760 mmHg; (21)Vapour Pressure: 2.16E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC)CCCCCCCC
(2)Std. InChI: InChI=1S/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3
(3)Std. InChIKey: IBKKMFMBXQARGV-UHFFFAOYSA-N