Docosanoic acid, phenylmethylester supplier

Name
benzyl docosanoate
EINECS 286-552-5
CAS No. 85263-74-7
Article Data2
CAS DataBase
Density 0.911 g/cm³
Solubility
Melting Point
Formula C₂₉H₅₀O₂
Boiling Point 510.5 °C at 760 mmHg
Molecular Weight 430.715
Flash Point 89.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylbehenate;Benzyl docosanoate;
PSA 26.30000
LogP 9.55170

Docosanoic acid, phenylmethylester Specification

The Docosanoic acid, phenylmethylester, with the CAS registry number 85263-74-7, is also known as Behenic acid benzyl ester. Its EINECS registry number is 286-552-5. This chemical's molecular formula is C₂₉H₅₀O₂ and molecular weight is 430.7061. What's more, both its IUPAC name and systematic name are the same which is called Benzyl docosanoate.

Physical properties about Docosanoic acid, phenylmethylester are: (1)ACD/LogP: 12.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.56; (4)ACD/LogD (pH 7.4): 12.56; (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: 23; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 134.86 cm³; (15)Molar Volume: 472.3 cm³; (16)Surface Tension: 34.4 dyne/cm; (17)Density: 0.911 g/cm³; (18)Flash Point: 89.9 °C; (19)Enthalpy of Vaporization: 78.13 kJ/mol; (20)Boiling Point: 510.5 °C at 760 mmHg; (21)Vapour Pressure: 1.54E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)CCCCCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3
(3) InChIKey: FYOGVGKALAEVBF-UHFFFAOYAV

Product Name

benzyl docosanoate

Docosanoic acid, phenylmethylester Specification

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