Hexacosanoic acid,methyl ester supplier

Name
METHYL HEXACOSANOATE
EINECS 227-355-6
CAS No. 5802-82-4
Article Data10
CAS DataBase
Density 0.859 g/cm³
Solubility
Melting Point 63-66 °C
Formula C₂₇H₅₄O₂
Boiling Point 439.5 °C at 760 mmHg
Molecular Weight 410.725
Flash Point 220.9 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ceroticacid, methyl ester;Methyl cerotate;Methyl hexacosanoate;Methyln-hexacosanoate;
PSA 26.30000
LogP 9.54170

Hexacosanoic acid,methyl ester Specification

The CAS register number of Hexacosanoic acid,methyl ester is 5802-82-4. It also can be called as Ceroticacid, methyl ester and the IUPAC name about this chemical is methyl hexacosanoate. The molecular formula about this chemical is C₂₇H₅₄O₂ and the molecular weight is 410.72. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about Hexacosanoic acid,methyl ester are: (1)ACD/LogP: 12.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.93; (4)ACD/LogD (pH 7.4): 12.93; (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: 25; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 128.91 cm³; (14)Molar Volume: 477.6 cm³; (15)Polarizability: 51.1x10^-24cm³; (16)Surface Tension: 31.4 dyne/cm; (17)Enthalpy of Vaporization: 69.65 kJ/mol; (18)Boiling Point: 439.5 °C at 760 mmHg; (19)Vapour Pressure: 6.35E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3
(3)InChIKey: VHUJBYYFFWDLNM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3
(5)Std. InChIKey: VHUJBYYFFWDLNM-UHFFFAOYSA-N

Product Name

METHYL HEXACOSANOATE

Hexacosanoic acid,methyl ester Specification

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