3,6,9,12,15,18,21-heptaoxanonatriacontan-1-ol

• ChemBase ID: 130960
• Molecular Formular: C32H66O8
• Molecular Mass: 578.86164
• Monoisotopic Mass: 578.47576907
• SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C32H66O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-21-23-36-25-27-38-29-31-40-32-30-39-28-26-37-24-22-35-20-18-33/h33H,2-32H2,1H3
• InChIKey: DXFSRFBWOGMMJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18,21-heptaoxanonatriacontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18,21-heptaoxanonatriacontan-1-ol
• Synonyms: C18E7; Heptaethylene glycol monooctadecyl ether; Octadecylheptaglycol; Polyoxyethylene (7) stearyl ether

Database IDs

• CAS Number: 66146-84-7
• MDL Number: MFCD00077929
• PubChem SID: 162225238
• PubChem CID: 181780

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 6.7004547
• LogD (pH = 7.4): 6.7004547
• Log P: 6.7004547
• Molar Refractivity: 163.8534 cm^3
• Polarizability: 65.13662 Å^3
• Polar Surface Area: 84.84 Å^2
• Rotatable Bonds: 37
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~95%