13-Docosenoic acid,methyl ester, (13E)- supplier

Name
METHYL BRASSIDATE
EINECS
CAS No. 7439-44-3
Article Data1
CAS DataBase
Density 0.869 g/cm³
Solubility
Melting Point 33 °C
Formula C₂₃H₄₄O₂
Boiling Point 422.9 °C at 760 mmHg
Molecular Weight 352.601
Flash Point 84.6 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 13-Docosenoicacid, methyl ester, (E)- (8CI);Methyl brassidate;Methyl trans-13-docosenoate;
PSA 26.30000
LogP 7.75730

13-Docosenoic acid,methyl ester, (13E)- Specification

The 13-Docosenoic acid,methyl ester, (13E)-, with the CAS registry number 7439-44-3, is also known as Methyl (13E)-13-docosenoate. This chemical's molecular formula is C₂₃H₄₄O₂ and molecular weight is 352.59. What's more, its systematic name is called Methyl (13E)-docos-13-enoate.

Physical properties about 13-Docosenoic acid,methyl ester, (13E)- 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)Surface Tension: 31.3 dyne/cm; (11)Density: 0.869 g/cm³; (12)Flash Point: 84.6 °C; (13)Enthalpy of Vaporization: 67.72 kJ/mol; (14)Boiling Point: 422.9 °C at 760 mmHg; (15)Vapour Pressure: 2.32E-07 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not breathed. What's more, you should avoid contacting with skin and eyes.

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-ZHACJKMWBV

Product Name

METHYL BRASSIDATE

13-Docosenoic acid,methyl ester, (13E)- Specification

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