Basic information
- CAS
563-03-1- Standard SMILES
COc1ccccc1OP(=O)(Oc1ccccc1OC)Oc1ccccc1OC- InChIKey
ADBFDJQRBQZXAB-UHFFFAOYSA-N- Molecular formula
- C21H21O7P
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.10249
Overview
Guaiacol phosphate is an aryl phosphate.
Names & identifiers
- Preferred name
- Guaiacol phosphate
- IUPAC
- tris(2-methoxyphenyl) phosphate
- English name
- tris(2-methoxyphenyl) phosphate
- Molecular formula
- C21H21O7P
- Molecular weight
- 416.36
Names & synonyms
Guaiacol phosphateTris(2-methoxyphenyl) phosphateUNII-56492O1F0UEINECS 209-240-256492O1F0UGUAIACOL PHOSPHATE [MI]DTXSID70204836PHENOL, 2-METHOXY-, PHOSPHATE (3:1)PHENOL, O-METHOXY-, PHOSPHATE (3:1)PHENOL, 2-METHOXY-, 1,1',1''-PHOSPHATERefChem:144598DTXCID00127327
Show more names
Phosphoric acid tri(2-methoxyphenyl) esterPhosphoric acid tris(2-methoxyphenyl) ester
563-03-1SCHEMBL19809ADBFDJQRBQZXAB-UHFFFAOYSA-NCHEBI:135674AKOS0036464082-methoxyphenyl di2-methoxyphenyl phosphatePhosphoric acid,tris(o-methoxyphenyl) esterNS00042808
Database identifiers
- CAS
563-03-1- PubChem CID
- 68420
- DTXSID
DTXSID70204836- ChEBI
CHEBI:135674- UNII
- 56492O1F0U
- EC Number
- 209-240-2
- Nikkaji
- J188.425E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 460
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 91 ° · 91°
- Boiling point
- 3 · bp3 275-280°
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- form
- solid
- FDA UNII
- 56492 O1F0U · 56492O1F0U
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 370 · H370-H411
- Precautionary statements
- 260 · P260-P264-P270-P307+P311-P321-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
Danger
H370 (100%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]
P260, P264, P270, P273, P308+P316, P321, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSTOT SE 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- Hazard statements
- H370-H411
- Precautionary statements
- P260-P264-P270-P307+P311-P321-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Additional notes
DefinitionChEBI: Guaiacol phosphate is an aryl phosphate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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