ethyl (9Z)-octadec-9-enoate

• ChemBase ID: 168703
• Molecular Formular: C20H38O2
• Molecular Mass: 310.51452
• Monoisotopic Mass: 310.28718046
• SMILES: C(CCCCCC(=O)OCC)C/C=C\CCCCCCCC
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC
• InChI: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
• InChIKey: LVGKNOAMLMIIKO-QXMHVHEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (9Z)-octadec-9-enoate
• IUPAC Traditional name: ethyl oleate
• Synonyms: (9Z)-9-Octadecenoic Acid Ethyl Ester; Crodamol EO; Esterol 123; Ethyl (Z)-9-Octadecenoate; Ethyl cis-9-Octadecenoate; Ethyl Oleate; Nikkol EOO; Nofable EO 99; Ethyl Oleate; Oleic acid ethyl ester; Ethyl oleate; 油酸乙酯

Database IDs

• CAS Number: 111-62-6
• EC Number: 203-889-5
• MDL Number: MFCD00009579
• Beilstein Number: 1727318
• PubChem SID: 162262835
• PubChem CID: 5363269

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.2865005
• LogD (pH = 7.4): 7.2865005
• Log P: 7.2865005
• Molar Refractivity: 96.9199 cm^3
• Polarizability: 38.117664 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Clear Colorless Oil
• Melting Point: -32°C
• Boiling Point: 205-208°C
• Flash Point: >110°C(230°F)
• Density: 0.87
• Refractive Index: 1.451

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Light Sensitive
• RTECS: RG3715000
• TSCA Listed: 是

Product Information

• Purity: tech. 70%

DETAILS

Toronto Research Chemicals - E925325

It was obtained by the hydrolysis of various animal and vegetable fats and oils.

REFERENCES

• Stoffel, W., et al.: Z. Physiol. Chem., 353, 1962 (1972)
• Bonte, F.J., et al.: Radiology, 108. 195 (1972)