p-tert-Butylphenyl dihydrogen phosphate
Basic information
- CAS
13421-39-1- Standard SMILES
CC(C)(C)c1ccc(OP(=O)(O)O)cc1- InChIKey
BFVWABPNHXPWPS-UHFFFAOYSA-N- Molecular formula
- C10H15O4P
- Average molar mass
- 230.2 g/mol
- Monoisotopic mass
- 230.07079595
Names & identifiers
- Preferred name
- p-tert-Butylphenyl dihydrogen phosphate
- IUPAC
- (4-tert-butylphenyl) dihydrogen phosphate
- English name
- p-tert-butylphenyl dihydrogen phosphate
- Molecular formula
- C10H15O4P
- Molecular weight
- 230.197461
Names & synonyms
p-tert-Butylphenyl dihydrogen phosphate13421-39-1EINECS 236-530-6DTXSID80158598RefChem:858197DTXCID7081089236-530-6CHEMBL25780(4-tert-butylphenyl) dihydrogen phosphateSCHEMBL2844624-t-butylphenylphosphoric acidBFVWABPNHXPWPS-UHFFFAOYSA-N
Show more names
Phosphoric acid 4-tert-butylphenyl ester4-(1,1-Dimethylethyl)phenol dihydrogen phosphatePhenol,4-(1,1-dimethylethyl)-, 1-(dihydrogen phosphate)
BDBM501124434-tert-butylphenyl dihydrogen phosphateNS00020383Phosphoric acid mono-(4-tert-butyl-phenyl) ester
Database identifiers
- CAS
13421-39-1- PubChem CID
- 83430
- DTXSID
DTXSID80158598- ChEMBL
CHEMBL25780- EC Number
- 236-530-6
- Nikkaji
- J317.876E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- 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
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
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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