4,4'-Isopropylidenebis(2-tert-butylphenol) bis(4-nonylphenyl) phosphite
Basic information
- CAS
20227-53-6- Standard SMILES
CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2ccc(C(C)(C)c3ccc(O)c(C(C)(C)C)c3)cc2C(C)(C)C)cc1- InChIKey
GVCIJKWSBDKBJP-UHFFFAOYSA-N- Molecular formula
- C53H77O4P
- Average molar mass
- 809.1 g/mol
- Monoisotopic mass
- 808.55594793
Names & identifiers
- Preferred name
- 4,4'-Isopropylidenebis(2-tert-butylphenol) bis(4-nonylphenyl) phosphite
- IUPAC
- [2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenyl] bis(4-nonylphenyl) phosphite
- English name
- 2-(tert-butyl)-4-[1-[3-(tert-butyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) phosphite
- Molecular formula
- C53H77O4P
- Molecular weight
- 809.15
Names & synonyms
20227-53-6EINECS 243-610-4Phosphorous acid, 2-(1,1-dimethylethyl)-4-[1-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) ester0NN03V3M964,4'-Isopropylidenebis(2-tert-butylphenol) bis(4-nonylphenyl) phosphitePhosphorous acid, 2-(1,1-dimethylethyl)-4-(1-(3-(1,1-dimethylethyl)-4-hydroxyphenyl)-1-methylethyl)phenyl bis(4-nonylphenyl) esterDTXSID00278082-TERT-BUTYL-.ALPHA.-(3-TERT-BUTYL-4-HYDROXYPHENYL)-P-CUMENYL BIS(P-NONYLPHENYL) PHOSPHITERefChem:506701DTXCID5078082-TERT-BUTYL-ALPHA-(3-TERT-BUTYL-4-HYDROXYPHENYL)-P-CUMENYL BIS(P-NONYLPHENYL) PHOSPHITE2-(tert-butyl)-4-[1-[3-(tert-butyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) phosphite
Show more names
Phosphorous acid, 2-(1,1-dimethylethyl)-4-(1-(3-(1,1-dimethylethyl)-4- hydroxyphenyl)-1-methylethyl)phenyl bis(4-nonylphenyl) ester
2-(tert-Butyl)-4-(1-(3-(tert-butyl)-4-hydroxyphenyl)-1-methylethyl)phenyl bis(4-nonylphenyl) phosphiteUNII-0NN03V3M962-(tert-butyl)-4-[1-[3-(tert-butyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl)phosphiteSCHEMBL1458220SCHEMBL29636444GVCIJKWSBDKBJP-UHFFFAOYSA-N2-TERT-BUTYL-4-[2-(3-TERT-BUTYL-4-HYDROXYPHENYL)PROPAN-2-YL]PHENYL BIS(4-NONYLPHENYL) PHOSPHITEPhosphorous acid, 2-tert-butyl-alpha-(3-tert-butyl-4-hydroxyphenyl)-p-cumenyl bis(p-nonylphenyl) ester
Properties
Computed structural properties
- XLogP
- 20.5
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,020
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- 2 · 2-TERT-BUTYL-ALPHA-(3-TERT-BUTYL-4-HYDROXYPHENYL)-P-CUMENYL BIS(P-NONYLPHENYL) PHOSPHITE
- FDA 21 CFR
- 178.201 · 178.2010
- FDA UNII
- 0 NN03V3M96 · 0NN03V3M96
- EPA Substance Registry System
- 2 · Phosphorous acid, 2-(1,1-dimethylethyl)-4-[1-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) ester (20227-53-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Phosphorous acid, 2-(1,1-dimethylethyl)-4-[1-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) ester
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphorous acid, 2-(1,1-dimethylethyl)-4-[1-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) ester: ACTIVE
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Compound notes
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