Tris(hydroxymethyl)phosphine oxide
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Basic information
- CAS
1067-12-5- Standard SMILES
O=P(CO)(CO)CO- InChIKey
MRVZORUPSXTRHD-UHFFFAOYSA-N- Molecular formula
- C3H9O4P
- Average molar mass
- 140.07 g/mol
- Monoisotopic mass
- 140.02384576
Names & identifiers
- Preferred name
- Tris(hydroxymethyl)phosphine oxide
- IUPAC
- bis(hydroxymethyl)phosphorylmethanol
- English name
- phosphinylidynetrimethanol
- Molecular formula
- C3H9O4P
- Molecular weight
- 140.07
Names & synonyms
Tris(hydroxymethyl)phosphine oxide1067-12-5Methanol, phosphinylidynetris-Trimethylolphosphine oxideTri(hydroxymethyl)phosphine oxideEINECS 213-924-6NSC 30693UNII-427X213Z3IAI3-23872Methanol, 1,1',1''-phosphinylidynetris-NSC-30693427X213Z3I
Show more names
JACS-1067-12-5PhosphoryltrimethanolPhosphinylidyntrimethanolphosphinylidynetrimethanolPhosphinylidynetrismethanolTIANFUCHEM--1067-12-5---phosphinylidynetrimethanol
DTXSID9040213Tris-(hydroxymethyl)-phosphinoxideTris-(hydroxymethyl)-phosphine oxideRefChem:192133DTXCID7020213213-924-6MRVZORUPSXTRHD-UHFFFAOYSA-Nbis(hydroxymethyl)phosphorylmethanol
Database identifiers
- CAS
1067-12-5- PubChem CID
- 70598
- DTXSID
DTXSID9040213- UNII
- 427X213Z3I
- EC Number
- 213-924-6
- Nikkaji
- J217.173B
Properties
Computed structural propertiesFilling in
- XLogP
- -2.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.4
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 56 · 56-58 °C
- Boiling point
- 504.9 · 504.9±45.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- pka
- 12.26 · 12.26±0.10(Predicted)
- Water Solubility
- 1000 g/L · 1000g/L at 25℃
- InChI
- InChI=1S/C3H9O3P/c4-1-7(2-5)3-6/h4-6H,1-3H2
- InChIKey
- JMXMXKRNIYCNRV-UHFFFAOYSA-N
- SMILES
- P(CO)(CO)CO
- LogP
- -4.77 · -4.77
- CAS DataBase Reference
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 100% (15 of 15) of all reports.
Not Classified
Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Methanol, 1,1',1''-phosphinylidynetris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanol, 1,1',1''-phosphinylidynetris- 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)
REACH registered substance: Phosphinylidynetrimethanol (EC: 213-924-6)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 52,320 lb
Consumer UsesCleaning agent
Industry UsesCleaning agent
General Manufacturing Information
Miscellaneous Manufacturing
Methanol, 1,1',1''-phosphinylidynetris-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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