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154862-43-8 molecular structure
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3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

ChemBase ID: 145392
Molecular Formular: C53H58O6P2
Molecular Mass: 852.971542
Monoisotopic Mass: 852.37086284
SMILES and InChIs

SMILES:
CC(C)(c1ccccc1)c1ccc(c(c1)C(C)(C)c1ccccc1)OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
Canonical SMILES:
CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)(c1ccccc1)C
InChI:
InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3
InChIKey:
WBWXVCMXGYSMQA-UHFFFAOYSA-N

Cite this record

CBID:145392 http://www.chembase.cn/molecule-145392.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
IUPAC Traditional name
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Synonyms
3,9-Bis(2,4-dicumylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
3,9-二(2,4-二枯基苯氧基)-2,4,8,10-四氧杂-3,9-二磷杂螺[5.5]十一烷
CAS Number
154862-43-8
MDL Number
MFCD00274221
PubChem SID
24867739
162239598
PubChem CID
164499

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
442216 external link Add to cart Please log in.
Data Source Data ID
PubChem 164499 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 16.060297  LogD (pH = 7.4) 16.060596 
Log P 16.0606  Molar Refractivity 291.2123 cm3
Polarizability 97.40816 Å3 Polar Surface Area 55.38 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
229-232 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Empirical Formula (Hill Notation)
C53H58O6P2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 442216 external link
Application
Antioxidant for polymers
Packaging
100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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