2-ethylhexyl octyl phenyl phosphite

• ChemBase ID: 109111
• Molecular Formular: C22H39O3P
• Molecular Mass: 382.517021
• Monoisotopic Mass: 382.26368174
• SMILES: CCCCCCCCOP(OCC(CC)CCCC)Oc1ccccc1
• Canonical SMILES: CCCCCCCCOP(Oc1ccccc1)OCC(CCCC)CC
• InChI: InChI=1S/C22H39O3P/c1-4-7-9-10-11-15-19-23-26(25-22-17-13-12-14-18-22)24-20-21(6-3)16-8-5-2/h12-14,17-18,21H,4-11,15-16,19-20H2,1-3H3
• InChIKey: ZIXVBDFLJANKCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylhexyl octyl phenyl phosphite
• IUPAC Traditional name: 2-ethylhexyl octyl phenyl phosphite
• Synonyms: 2-ETHYLHEXYL OCTYLPHENYLPHOSPHITE

Database IDs

• CAS Number: 7346-61-4
• PubChem SID: 162096085
• PubChem CID: 110970

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 8.179299
• LogD (pH = 7.4): 8.1793
• Log P: 8.1793
• Molar Refractivity: 112.1801 cm^3
• Polarizability: 44.574368 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05209888

MP Biomedicals Rare Chemical collection