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| CAS No.: | 1120-34-9 |
|---|---|
| Name: | ERUCIC ACID METHYL ESTER |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C23H44O2 |
| Molecular Weight: | 352.601 |
| Synonyms: | Erucic acid methyl ester;Methyl 13(Z)-docosenoate;Methylcis-13-docosenoate;Methyl erucate; |
| EINECS: | 214-305-3 |
| Density: | 0.869 g/cm3 |
| Melting Point: | -1.16-1.20℃ |
| Boiling Point: | 422.9 °C at 760 mmHg |
| Flash Point: | 84.6 °C |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 7.75730 |
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Specification
The Erucic acid, methyl ester, with the CAS registry number 1120-34-9, is also known as 13-Docosenoic acid,methyl ester, (13Z)-. It belongs to the product categories of Industrial/Fine Chemicals; Biochemistry; Higher Fatty Acids & Higher Alcohols; Unsaturated Higher Fatty Acid Esters. Its EINECS registry number is 214-305-3. This chemical's molecular formula is C23H44O2 and molecular weight is 352.59. What's more, its IUPAC name is Methyl (Z)-docos-13-enoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact oxidant, strong reductant, alkali. And it can be used to produce Corner alcohol, Erucamide and other derivatives. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.
Physical properties about Erucic acid, methyl ester are: (1)ACD/LogP: 10.29; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 20; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.457; (8)Molar Refractivity: 110.43 cm3; (9)Molar Volume: 405.2 cm3; (10)Polarizability: 43.78×10-24 cm3; (11)Surface Tension: 31.3 dyne/cm; (12)Density: 0.869 g/cm3; (13)Flash Point: 84.6 °C; (14)Enthalpy of Vaporization: 67.72 kJ/mol; (15)Boiling Point: 422.9 °C at 760 mmHg; (16)Vapour Pressure: 2.32E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CCCCCCCCCCC\C=C/CCCCCCCC
(2) InChI: InChI=1/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
(3) InChIKey: ZYNDJIBBPLNPOW-KHPPLWFEBZ