(9Z,12Z)-octadeca-9,12-dienoyl (9Z,12Z)-octadeca-9,12-dienoate

• ChemBase ID: 131495
• Molecular Formular: C36H62O3
• Molecular Mass: 542.87568
• Monoisotopic Mass: 542.46989584
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
• Canonical SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C36H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-34H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
• InChIKey: BDTYMGCNULYACO-MAZCIEHSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z,12Z)-octadeca-9,12-dienoyl (9Z,12Z)-octadeca-9,12-dienoate
• IUPAC Traditional name: (9Z,12Z)-octadeca-9,12-dienoyl (9Z,12Z)-octadeca-9,12-dienoate
• Synonyms: Linoleic anhydride; (顺,顺)-9,12-十八碳二烯酸酐; 亚油酸酐

Database IDs

• CAS Number: 24909-68-0
• MDL Number: MFCD00010456
• PubChem SID: 162225773
• PubChem CID: 6436554

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 12.977925
• LogD (pH = 7.4): 12.977925
• Log P: 12.977925
• Molar Refractivity: 173.8322 cm^3
• Polarizability: 66.982796 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: clear, colorless oil
• Melting Point: -1 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.901 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.476(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Storage Temperature: -20°C