Basic information
- CAS
78-33-1- Standard SMILES
CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2)Oc2ccc(C(C)(C)C)cc2)cc1- InChIKey
LORSVOJSXMHDHF-UHFFFAOYSA-N- Molecular formula
- C30H39O4P
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.25859672
Names & identifiers
- Preferred name
- Tris(p-t-butylphenyl) phosphate
- IUPAC
- tris(4-tert-butylphenyl) phosphate
- English name
- Tri-(p-tert-butylphenyl) phosphate
- Molecular formula
- C30H39O4P
- Molecular weight
- 494.6
Names & synonyms
Tris(4-tert-butylphenyl) phosphate78-33-1Tris(p-tert-butylphenyl) phosphatep-tert-Butylphenol, phosphate (3:1)Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1)TRIS(P-T-BUTYLPHENYL) PHOSPHATEPhenol, p-tert-butyl-, phosphate (3:1)HSDB 5219Phosphate, tris(tert-butylphenyl)NSC 2884NSC-2884EINECS 201-106-1
Show more names
Phosphen 7T-butyl phenyl phosphateTri-p-t-butylphenyl phosphateTRIS(4-T-BUTYLPHENYL)PHOSPHATEtris(p-t-butylphenyl)phosphate
X7657453VTAI3-17846DTXSID3051466LORSVOJSXMHDHF-UHFFFAOYSA-Phenol, 4-(1,1-dimethylethyl)-, 1,1',1''-phosphateRefChem:900356DTXCID709866Tris(ptertbutylphenyl) phosphate
Database identifiers
- CAS
78-33-1- PubChem CID
- 6530
- DTXSID
DTXSID3051466- UNII
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 594
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Organophosphates, Other
Organophosphate
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 100 · 100~104℃
- Boiling point
- 224 · 224-226 °C(Press: 0.1 Torr)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Pale Yellow
- Henry's Law Constant
- 1.4 · 1.4×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA 21 CFR
- 175.105 · 175.105
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 98.8% (80 of 81) of all reports.
Not Classified
Aggregated GHS information provided per 81 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Phenol, 4-(1,1-dimethylethyl)-, 1,1',1''-phosphate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-(1,1-dimethylethyl)-, 1,1',1''-phosphate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
FDA RequirementsTris (p-tertiary butyl phenyl) phosphate is an indirect food additive for use only as a component of adhesives.
TSCA Requirements
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1) is included on this list.
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Uses
Used as an adhesive in food additives; [HSDB]
Adhesives in food additives
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesLubricating agent
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
Utilities
Phenol, 4-(1,1-dimethylethyl)-, 1,1',1''-phosphate: ACTIVE
Applications
UsesTris(p-tert-butylphenyl) Phosphate is a compound with potential application to fire retardants, plasticizers and oils, due to its chemical composition.
UsesPlasticizer.
Suppliers47 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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