CAS No.14450-05-6,2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate Suppliers

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Molecular Structure:
CAS No.:	14450-05-6
Name:	2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate
Article Data:	10

Formula:	C₄₁H₇₆O₈
Molecular Weight:	697.05
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;
EINECS:	238-430-8
Density:	0.969 g/cm³
Boiling Point:	699.1 °C at 760 mmHg
Flash Point:	273.6 °C
PSA:	105.20000
LogP:	11.14800

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Specification

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