3,9-bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

• ChemBase ID: 147867
• Molecular Formular: C41H82O6P2
• Molecular Mass: 733.033702
• Monoisotopic Mass: 732.5586636
• SMILES: CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
• InChIKey: PZRWFKGUFWPFID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,9-bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
• IUPAC Traditional name: 3,9-bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
• Synonyms: 3,9-Bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane; 3,9-双十八烷氧基-2,4,8,10-四氧-3,9-二磷螺环[5.5]十一烷

Database IDs

• CAS Number: 3806-34-6
• EC Number: 223-276-6
• MDL Number: MFCD00071522
• PubChem SID: 24867700; 162242049
• PubChem CID: 19645

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 14.829424
• LogD (pH = 7.4): 14.830783
• Log P: 14.8308
• Molar Refractivity: 211.2111 cm^3
• Polarizability: 84.374596 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 44-47 °C(lit.)
• Flash Point: >113 °C; >235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Empirical Formula (Hill Notation): C41H82O6P2

DETAILS

Sigma Aldrich - 441775

Application
Color stabilizer for polymers
Packaging
100 g in glass bottle