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Erucic acid, methyl ester

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Name

Erucic acid, methyl ester

EINECS 214-305-3
CAS No. 1120-34-9 Density 0.869 g/cm3
PSA 26.30000 LogP 7.75730
Solubility N/A Melting Point -1.16-1.20℃
Formula C23H44O2 Boiling Point 422.9 °C at 760 mmHg
Molecular Weight 352.601 Flash Point 84.6 °C
Transport Information UN 3272 Appearance N/A
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 1120-34-9 (ERUCIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

Erucic acid methyl ester;Methyl 13(Z)-docosenoate;Methylcis-13-docosenoate;Methyl erucate;

Article Data 11

Erucic acid, methyl ester 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

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