9-Octadecenoic acid(9Z)-, isodecyl ester supplier

Name
isodecyl oleate
EINECS 261-673-6
CAS No. 59231-34-4
Density 0.865 g/cm³
Solubility
Melting Point
Formula C₂₈H₅₄O₂
Boiling Point 491.5 °C at 760 mmHg
Molecular Weight 422.73
Flash Point 75.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-Octadecenoicacid (Z)-, isodecyl ester;Oleic acid, isodecyl ester (6CI);Ceraphyl 140A;Isodecyl oleate;
PSA 26.30000
LogP 9.56370

9-Octadecenoic acid(9Z)-, isodecyl ester Specification

This chemical is called 9-Octadecenoic acid (9Z)-, isodecyl ester, and it can also be named as Isodecyl oleate. With the molecular formula of C₂₈H₅₄O₂, its molecular weight is 422.73. The CAS registry number of this chemical is 59231-34-4.

Other characteristics of the 9-Octadecenoic acid (9Z)-, isodecyl ester can be summarised as followings: (1)ACD/LogP: 12.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.76; (4)ACD/LogD (pH 7.4): 12.76 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 24; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.459; (10)Molar Refractivity: 133.56 cm³; (11)Molar Volume: 488.1 cm³; (12)Polarizability: 52.94×10^-24cm³; (13)Surface Tension: 31.3 dyne/cm; (14)Density: 0.865 g/cm³; (15)Flash Point: 75.2 °C; (16)Enthalpy of Vaporization: 75.83 kJ/mol; (17)Boiling Point: 491.5 °C at 760 mmHg; (18)Vapour Pressure: 8.31E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)CCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC
2.InChI: InChI=1/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h11-12,27H,4-10,13-26H2,1-3H3
3.InChIKey: ODMZDMMTKHXXKA-UHFFFAOYAU

Product Name

isodecyl oleate

9-Octadecenoic acid(9Z)-, isodecyl ester Specification

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