Docosanoic acid,triacontyl ester supplier

Name
triacontyl docosanoate
EINECS
CAS No. 80252-39-7
Density 0.855 g/cm³
Solubility
Melting Point
Formula C₅₂H₁₀₄O₂
Boiling Point 698.4 °C at 760 mmHg
Molecular Weight 761.381
Flash Point 393.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Triacontanyldocosanoate;
PSA
LogP

Docosanoic acid,triacontyl ester Specification

The Docosanoic acid,triacontyl ester, with the CAS registry number 80252-39-7, is also known as Triacontanyldocosanoate. This chemical's molecular formula is C₅₂H₁₀₄O₂ and molecular weight is 761.381. What's more, both its IUPAC name and systematic name are the same which is called Triacontyl docosanoate.

Physical properties about Docosanoic acid,triacontyl ester are: (1)ACD/LogP: 26.21; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 26.21; (4)ACD/LogD (pH 7.4): 26.21; (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)#H bond donors: 0; (11)#Freely Rotating Bonds: 50; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 244.73 cm³; (15)Molar Volume: 890.3 cm³; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 0.855 g/cm³; (18)Flash Point: 393.4 °C; (19)Enthalpy of Vaporization: 102.26 kJ/mol; (20)Boiling Point: 698.4 °C at 760 mmHg; (21)Vapour Pressure: 2.35E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C52H104O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-54-52(53)50-48-46-44-42-40-38-36-34-32-22-20-18-16-14-12-10-8-6-4-2/h3-51H2,1-2H3
(3) InChIKey: HGUFFVLRURPLNF-UHFFFAOYAC

Product Name

triacontyl docosanoate

Docosanoic acid,triacontyl ester Specification

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