Tetrakis(2,4-di-tert-butylphenyl) (1,1-biphenyl)-4,4'-diylbisphosphonite
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Basic information
- CAS
38613-77-3- Standard SMILES
CC(C)(C)c1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccc(P(Oc4ccc(C(C)(C)C)cc4C(C)(C)C)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c(C(C)(C)C)c1- InChIKey
BEIOEBMXPVYLRY-UHFFFAOYSA-N- Molecular formula
- C68H92O4P2
- Average molar mass
- 1,035.4 g/mol
- Monoisotopic mass
- 1,034.64708541
Names & identifiers
- Preferred name
- Tetrakis(2,4-di-tert-butylphenyl) (1,1-biphenyl)-4,4'-diylbisphosphonite
- IUPAC
- [4-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
- English name
- Tetrakis(2,4-di-tert-butylphenyl)-1,1-biphenyl-4,4'-diylbisphosphonite
- Molecular formula
- C68H92O4P2
- Molecular weight
- 1035.4
Names & synonyms
Phosphonous acid, (1,1'-biphenyl)-4,4'-diylbis-, tetrakis(2,4-bis(1,1-dimethylethyl)phenyl) esterTetrakis(2,4-di-tert-butylphenyl) (1,1-biphenyl)-4,4'-diylbisphosphonitetetrakis(2,4-di-tert-butylphenyl) [1,1-biphenyl]-4,4'-diylbisphosphonitePhosphonous acid, [1,1'-biphenyl]-4,4'-diylbis-, tetrakis[2,4-bis(1,1-dimethylethyl)phenyl] esterPhosphonous acid, P,P'-((1,1'-biphenyl)-4,4'-diyl)bis-, P,P,P',P'-tetrakis(2,4-bis(1,1-dimethylethyl)phenyl) esterPhosphonous acid, P,P'-[[1,1'-biphenyl]-4,4'-diyl]bis-, P,P,P',P'-tetrakis[2,4-bis(1,1-dimethylethyl)phenyl] esterRefChem:897227254-037-438613-77-3Tetrakis(2,4-di-tert-butylphenyl) [1,1'-biphenyl]-4,4'-diylbis(phosphonite)Irgafos PEPQIRGAFOS P-EPQ
Show more names
pepqPhos 2irganox p-epqJADEWIN AN PQANTIOXIDANT-626Irgafos p-epqffEinecs 254-037-4phosphonous acid, biphenyldiyl-bis[2,4-bis(butyl)phenyl]
Properties
Computed structural propertiesFilling in
- XLogP
- 23.5
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,470
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 75 · 75-95°C
- Boiling point
- 854.2 · 854.2±65.0 °C(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Indirect Additives used in Food Contact Substances
- TETRAKIS(2,4-DI-TERT-BUTYLPHENYL) 4,4'-BIPHENYLENEDIPHOSPHONITE
- FDA 21 CFR
- 178.201 · 178.2010
- EPA Substance Registry System
- 1 · Phosphonous acid, [1,1'-biphenyl]-4,4'-diylbis-, tetrakis[2,4-bis(1,1-dimethylethyl)phenyl] ester (38613-77-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 76% (117 of 154) of all reports.
Warning
H332 (24%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphonous acid, [1,1'-biphenyl]-4,4'-diylbis-, tetrakis[2,4-bis(1,1-dimethylethyl)phenyl] ester
Phosphonous acid, [1,1'-biphenyl]-4,4'-diylbis-, tetrakis[2,4-bis(1,1-dimethylethyl)phenyl] ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (24%)
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: >10 g/kg KHZDAN 28(5),64,1985
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H332-H410
- Precautionary statements
- P273-P391-P501-P273-P391-P501-P261-P271-P304+P340-P312
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonous acid, P,P'-[[1,1'-biphenyl]-4,4'-diyl]bis-, P,P,P',P'-tetrakis[2,4-bis(1,1-dimethylethyl)phenyl] ester: ACTIVE
Applications
UsesTetrakis(2,4-di-tert-butylphenyl)[1,1''-biphenyl]-4,4''-diylbisphosphonite is a phosphite antioxidant.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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