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55682-91-2

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Basic Information
CAS No.: 55682-91-2
Name: HEPTACOSANOIC ACID METHYL ESTER
Article Data: 5
Molecular Structure:
Molecular Structure of 55682-91-2 (HEPTACOSANOIC ACID METHYL ESTER)
Formula: C28H56O2
Molecular Weight: 424.751
Synonyms: Methyl heptacosanoate;
Density: 0.859 g/cm3
Melting Point: 63-66 °C
Boiling Point: 449 °C at 760 mmHg
Flash Point: 226.1 °C
Safety: 22-24/25
PSA: 26.30000
LogP: 9.93180
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Specification

The CAS registry number of Heptacosanoic acid,methyl ester is 55682-91-2. The IUPAC name is methyl heptacosanoate. In addition, the molecular formula is C28H56O2 and the molecular weight is 424.74. What's more, the should be stored in a cool and dry place. And the storage temperature is 2-8°C.

Physical properties about Heptacosanoic acid,methyl ester are: (1)ACD/LogP: 13.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.46; (4)ACD/LogD (pH 7.4): 13.46; (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: 26; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 133.54 cm3; (14)Molar Volume: 494.2 cm3; (15)Polarizability: 52.94 ×10-24cm3; (16)Surface Tension: 31.5 dyne/cm; (17)Density: 0.859 g/cm3; (18)Flash Point: 226.1 °C; (19)Enthalpy of Vaporization: 70.76 kJ/mol; (20)Boiling Point: 449 °C at 760 mmHg; (21)Vapour Pressure: 2.96E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes. In addition, do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C28H56O2/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)30-2/h3-27H2,1-2H3
(3)InChIKey: SCVPLVIKFSVDDH-UHFFFAOYAA