CAS No.26544-17-2,Diisooctyl azelaate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26544-17-2
Name:	Diisooctyl azelaate

Formula:	C₂₅H₄₈O₄
Molecular Weight:	412.65
Synonyms:	Azelaicacid, diisooctyl ester (6CI,7CI,8CI);Nonanedioic acid, diisooctyl ester (9CI);Isooctyl alcohol, azelaate (2:1) (8CI);Isooctyl alcohol, azelate (2:1) (8CI);Diisooctyl azelate;Reomol DiOZ;
EINECS:	247-774-8
Density:	0.919 g/cm³
Melting Point:	55-65 °C
Boiling Point:	411.6 °C at 760 mmHg
Flash Point:	184.6 °C
PSA:	52.60000
LogP:	7.23630

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Specification

The Diisooctyl azelaate with the cas number 26544-17-2 is also called Nonanedioic acid,1,9-diisooctyl ester. Both the systematic name and IUPAC name are bis(6-methylheptyl) nonanedioate. Its EINECS registry number is 247-774-8. The molecular formula is C₂₅H₄₈O₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 9.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.33; (4)ACD/LogD (pH 7.4): 9.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2821499.5; (8)ACD/KOC (pH 7.4): 2821499.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 121.33 cm³; (15)Molar Volume: 448.9 cm³; (16)Polarizability: 48.1×10^-24cm³; (17)Surface Tension: 32.3 dyne/cm; (18)Enthalpy of Vaporization: 66.41 kJ/mol; (19)Vapour Pressure: 5.51×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCC(C)C)CCCCCCCC(=O)OCCCCCC(C)C
(2)InChI: InChI=1/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3
(3)InChIKey: CYNJQGPDCDNZBL-UHFFFAOYAU