Phenol, 4-(1,1-dimethylethyl)-, 1,1'-(hydrogen phosphate)
Basic information
- CAS
21150-89-0- Standard SMILES
CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(C(C)(C)C)cc2)cc1- InChIKey
NMZURFAPYNEBQQ-UHFFFAOYSA-N- Molecular formula
- C20H27O4P
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.16469634
Overview
structure given in first source
Names & identifiers
- Preferred name
- Phenol, 4-(1,1-dimethylethyl)-, 1,1'-(hydrogen phosphate)
- IUPAC
- bis(4-tert-butylphenyl) hydrogen phosphate
- English name
- bis(p-tert-butylphenyl) hydrogen phosphate
- Molecular formula
- C20H27O4P
- Molecular weight
- 362.4
Names & synonyms
21150-89-0Bis(tert-butylphenyl) phosphateBis(p-tert-butylphenyl) hydrogen phosphatePhenol, 4-(1,1-dimethylethyl)-, hydrogen phosphateDTXSID3066683Phenol, 4-(1,1-dimethylethyl)-, 1,1'-(hydrogen phosphate)bis-BPPRefChem:120272DTXCID9036434244-245-3Bis(4-tert-butylphenyl) hydrogen phosphateQSN5NVM25L
Show more names
bis(4-tert-butylphenyl)phosphoric acidPhosphoric acid bis(4-tert-butylphenyl) esterPhosphoric acid hydrogen bis(p-tert-butylphenyl) ester
SCHEMBL504554DI-P-TERT-BUTYL PHOSPHATENMZURFAPYNEBQQ-UHFFFAOYSA-NEINECS 244-245-3NS00009106
Database identifiers
- CAS
21150-89-0- PubChem CID
- 82671
- DTXSID
DTXSID3066683- UNII
- QSN5NVM25L
- EC Number
- 244-245-3
- Nikkaji
- J32.762J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Experimental & physicochemical properties
Chemical ClassesOrganophosphate diesters (OPDE)
Physicochemical properties
- EPA Substance Registry System
- 4 · Phenol, 4-(1,1-dimethylethyl)-, hydrogen phosphate (21150-89-0)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.6% (5 of 76) of reports.
Danger
H314 (93.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (93.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(1,1-dimethylethyl)-, 1,1'-(hydrogen phosphate): ACTIVE
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Related reactions
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Compound notes
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