Octyl isooctadecanoate supplier

Name
Octyl isooctadecanoate
EINECS 298-360-9
CAS No. 93803-86-2
Density 1.64g/cm³
Solubility
Melting Point
Formula C₅H₄N₂O₄
Boiling Point 412.2 °C at 760 mmHg
Molecular Weight 396.68988
Flash Point 203.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms octyl isooctadecanoate
PSA 26.30000
LogP 9.00750

Octyl isooctadecanoate Specification

The Octyl isooctadecanoate, with CAS registry number 93803-86-2, has the systematic name of 3-nitropyridin-4-ol 1-oxide. Its IUPAC name is octyl 16-methylheptadecanoate. And the chemical formula of this chemical is C₅H₄N₂O₄. What's more, its EINECS is 298-360-9.

Physical properties of Octyl isooctadecanoate: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.38; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 91.51 Å²; (10)Index of Refraction: 1.641; (11)Molar Refractivity: 34.35 cm³; (12)Molar Volume: 95.1 cm³; (13)Polarizability: 13.61×10^-24cm³; (14)Surface Tension: 78.8 dyne/cm; (15)Density: 1.64 g/cm³; (16)Flash Point: 203.1 °C; (17)Enthalpy of Vaporization: 69.06 kJ/mol; (18)Boiling Point: 412.2 °C at 760 mmHg; (19)Vapour Pressure: 2.21E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc[n+]([O-])cc1[N+](=O)[O-]
(2)InChI: InChI=1/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,8H
(3)InChIKey: GFWANJBZRUUAPA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,8H
(5)Std. InChIKey: GFWANJBZRUUAPA-UHFFFAOYSA-N

Product Name

Octyl isooctadecanoate

Octyl isooctadecanoate Specification

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