Docosanoic acid, docosyl ester supplier

Name
BEHENYL BEHENATE
EINECS 241-646-5
CAS No. 17671-27-1
Density 0.856 g/cm³
Solubility
Melting Point 75 °C
Formula C₄₄H₈₈O₂
Boiling Point 627.1 °C at 760 mmHg
Molecular Weight 649.182
Flash Point 347.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Docosanol,docosanoate (8CI);Behenic acid behenyl ester;Behenyl behenate;Docosylbehenate;Exceparl BB;Kester Wax 72;Nissan Electol WEP 3;Nissan Unister M2222SL;Pelemol BB;Rikaflow BB 62;SP-C 44 Ester Wax;Unister M 2222SL;WEP 3;n-Docosyl n-docosanoate;
PSA 26.30000
LogP 16.17340

Docosanoic acid, docosyl ester Specification

This chemical is called Docosanoic acid, docosyl ester, and its CAS registry number is 17671-27-1. With the molecular formula of C₄₄H₈₈O₂, its molecular weight is 649.17. Additionally, it should be stored at -20 °C.

Other characteristics of the Docosanoic acid, docosyl ester can be summarised as followings: (1)ACD/LogP: 21.96; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 21.96; (4)ACD/LogD (pH 7.4): 21.96; (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: 42; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 207.66 cm³; (15)Molar Volume: 758.3 cm³; (16)Polarizability: 82.32×10^-24cm³; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.856 g/cm³; (19)Flash Point: 347.4 °C; (20)Enthalpy of Vaporization: 92.82 kJ/mol; (21)Boiling Point: 627.1 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C44H88O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3
3.InChIKey: NJIMZDGGLTUCPX-UHFFFAOYAL

Product Name

BEHENYL BEHENATE

Docosanoic acid, docosyl ester Specification

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