CAS No.71566-49-9,2-ethylhexyl isononanoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71566-49-9
Name:	2-ethylhexyl isononanoate

Formula:	C₁₇H₃₄O₂
Molecular Weight:	270.45
Synonyms:	2-Ethylhexylisononanoate;2-Ethylhexyl isononate;2-Ethylhexyl isopelargonate;Dragoxat 89;
EINECS:	275-637-2
Density:	0.862g/cm³
Boiling Point:	303.6 °C at 760 mmHg
Flash Point:	147.1 °C
PSA:	26.30000
LogP:	5.35250

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Specification

This chemical is called 2-Ethylhexyl isononanoate, and it can also be named as Isononanoic acid, 2-ethylhexyl ester. With the molecular formula of C₁₇H₃₄O₂, its molecular weight is 270.45. The CAS registry number of this chemical is 71566-49-9.

Other characteristics of the 2-Ethylhexyl isononanoate can be summarised as followings: (1)ACD/LogP: 7.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.25; (4)ACD/LogD (pH 7.4): 7.25; (5)ACD/BCF (pH 5.5): 189874.11; (6)ACD/BCF (pH 7.4): 189874.11; (7)ACD/KOC (pH 5.5): 208882.22; (8)ACD/KOC (pH 7.4): 208882.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 82.49 cm³; (15)Molar Volume: 313.3 cm³; (16)Polarizability: 32.7×10^-24cm³; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.862 g/cm³; (19)Flash Point: 147.1 °C; (20)Enthalpy of Vaporization: 54.39 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000924 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC(CCCC)CC)CCCCCC(C)C
2.InChI: InChI=1/C17H34O2/c1-5-7-12-16(6-2)14-19-17(18)13-10-8-9-11-15(3)4/h15-16H,5-14H2,1-4H3
3.InChIKey: NAGVKZOTMXGCCA-UHFFFAOYAC