Isooctadecanoic acid,isohexadecyl ester supplier

Name
isohexadecyl isooctadecanoate
EINECS 257-598-3
CAS No. 52006-45-8
Density 0.856 g/cm³
Solubility
Melting Point
Formula C₃₄H₆₈O₂
Boiling Point 516.6 °C at 760 mmHg
Molecular Weight 508.90
Flash Point 275.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isohexadecyl isooctadecanoate;Isocetyl isostearate;Nikkol ICIS;
PSA 26.30000
LogP 11.98420

Isooctadecanoic acid,isohexadecyl ester Specification

The CAS registry number of Isooctadecanoic acid,isohexadecyl ester is 52006-45-8. Its EINECS registry number is 257-598-3. The IUPAC name is 14-methylpentadecyl 16-methylheptadecanoate. In addition, the molecular formula is C₃₄H₆₈O₂ and the molecular weight is 508.90. What's more, it should be stored in a cool and dry place.

Physical properties about Isooctadecanoic acid,isohexadecyl ester are: (1)ACD/LogP: 16.28; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.28; (4)ACD/LogD (pH 7.4): 16.28; (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: 2; (10)#Freely Rotating Bonds: 30; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 161.25 cm³; (14)Molar Volume: 594 cm³; (15)Polarizability: 63.92 ×10^-24cm³; (16)Surface Tension: 31.2 dyne/cm; (17)Density: 0.856 g/cm³; (18)Flash Point: 275.4 °C; (19)Enthalpy of Vaporization: 78.87 kJ/mol; (20)Boiling Point: 516.6 °C at 760 mmHg; (21)Vapour Pressure: 8.87E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1/C34H68O2/c1-32(2)28-24-20-16-12-8-5-6-10-14-18-22-26-30-34(35)36-31-27-23-19-15-11-7-9-13-17-21-25-29-33(3)4/h32-33H,5-31H2,1-4H3
(3)InChIKey: DHGBAFGZLVRESL-UHFFFAOYAS

Product Name

isohexadecyl isooctadecanoate

Isooctadecanoic acid,isohexadecyl ester Specification

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