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Basic Information
CAS No.: 5561-99-9
Name: cis-11-Eicosenoic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 5561-99-9 (cis-11-Eicosenoic acid)
Formula: C20H38 O2
Molecular Weight: 310.521
Synonyms: 11-Eicosenoicacid, (Z)- (8CI); (Z)-11-Eicosenoic acid; 11-cis-Eicosenoic acid;11Z-Eicosenoic acid; Gondoic acid; cis-11-Eicosenoic acid; cis-D11-Eicosenoic acid
Density: 0.883
Melting Point: 25 - 32 C
Boiling Point: 426.3oC at 760 mmHg
Flash Point: 110 ºC
Solubility: Practically insoluble yellowish paste
Hazard Symbols: Not regulated UN NO.
Transport Information: 180kgs
PSA: 37.30000
LogP: 6.88870
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Chemistry

Molecular Structure of cis-11-Eicosenoic acid (CAS NO.5561-99-9):

IUPAC Name: (E)-Icos-11-enoic acid 
Molecular Formula: C20H38O2
Molecular Weight: 310.51 
XLogP3: 7.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 17
Exact Mass: 310.28718
MonoIsotopic Mass: 310.28718
Topological Polar Surface Area: 37.3
Heavy Atom Count: 22
Complexity: 258 
storage temp.: −20 °C
Melting Point: 23-24 °C(lit.)
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 17
Index of Refraction: 1.467
Molar Refractivity: 96.32 cm3
Molar Volume: 346.9 cm3
Surface Tension: 33.8 dyne/cm
Density: 0.895 g/cm3
Flash Point: 323 °C
Enthalpy of Vaporization: 74.7 kJ/mol
Boiling Point: 426.3 °C at 760 mmHg
Vapour Pressure: 1.84E-08 mmHg at 25 °C
Canonical SMILES: CCCCCCCCC=CCCCCCCCCCC(=O)O
Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCCCC(=O)O
InChIKey: BITHHVVYSMSWAG-MDZDMXLPSA-N
InChI: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+

Safety Profile

Safety Information of cis-11-Eicosenoic acid (CAS NO.5561-99-9):
WGK Germany: 3
F: 8-10 
F8: Photosensitive.
F10: Keep under argon.

Specification

 cis-11-Eicosenoic acid (CAS NO.5561-99-9), its Synonyms are 11-Eicosenoic acid ; Gondoic acid ; Eicosenoic acid .