Tetrakis(hydroxymethyl)phosphonium chloride (CED0012592)

Record Information

Version

1.0

Creation Date

2016-05-19 03:09:55 UTC

Update Date

2026-04-16 22:35:59 UTC

Accession Number

CHEM009705

Identification

Common Name

Tetrakis(hydroxymethyl)phosphonium chloride

Class

Small Molecule

Description

Tetrakis(hydroxymethyl)phosphonium chloride belongs to the tetraalkylphosphonium compounds, a class of organophosphorus compounds within the organic compounds. This compound has the chemical formula C4H12ClO4P and an average molecular weight of 190.56 g/mol. The substance is utilized in plastics, specifically within Polyamide and Polyethylene Terephthalate. It is found in or released from five recorded sources. In the category of household cleaning and consumer products, it is used in bleaching agents. Within the building and construction sector, it is associated with ceilings. Additionally, it is found in electrical and electronic equipment, including amplifiers, thin magnetic films, and fixed capacitors and their manufacture.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
THPC	MeSH
Tetramethylolphosphonium phosphate (3:1)	MeSH
Tetramethylolphosphonium nitrate	MeSH
Tetramethylolphosphonium acetate	MeSH
Tetramethylolphosphonium oxalate (2:1)	MeSH
Tetramethylolphosphonium hydroxide	MeSH
Tetramethylolphosphonium sulfate (2:1)	MeSH
Tetramethylolphosphonium chloride	MeSH

Chemical Formula

C₄H₁₂ClO₄P

Average Molecular Mass

190.560 g/mol

Monoisotopic Mass

190.016 g/mol

CAS Registry Number

124-64-1

IUPAC Name

tetrakis(hydroxymethyl)phosphanium chloride

Traditional Name

tetrakis(hydroxymethyl)phosphanium chloride

SMILES

[Cl-].OC[P+](CO)(CO)CO

InChI Identifier

InChI=1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1

InChI Key

AKXUUJCMWZFYMV-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetraalkylphosphonium compounds. These are organophosphorus compounds that contain a tetravalent phosphorus atom substituted to four alkyl chains.

Kingdom

Organic compounds

Super Class

Organophosphorus compounds

Class

Tetraalkylphosphonium compounds

Sub Class

Not Available

Direct Parent

Tetraalkylphosphonium compounds

Alternative Parents

Substituents

Tetraalkylphosphonium compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organic chloride salt
Organic salt
Organic zwitterion
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	25.1 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-3.5	ChemAxon
logS	-0.88	ALOGPS
pKa (Strongest Acidic)	14.06	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	80.92 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	33.14 m³·mol⁻¹	ChemAxon
Polarizability	14 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-0900000000-97832f7d2bf83f9c43b6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4j-5900000000-8b5f71d368ea6617ea0e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1900000000-9d626c3c6e4311150ed3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-1900000000-e8b740ff2299fb983ce8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-1900000000-5819c7c3a54051315cc8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-64c006b81d837ea969e6	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2117.0	Log mg/kg	[1200:3800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
602	Molluscicides	Agriculture & land management	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	4.5931
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	474.18
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	52.8596
Click to view 3D structure	Uncharacterized protein	I3LIR5	Sus scrofa	Predicted (SEA)	7.08428
Click to view 3D structure	G protein-activated inward rectifier potassium channel 1	P48549	Humans	Predicted (SEA)	339.111
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	121.445
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	384.887
Click to view 3D structure	Lactase/phlorizin hydrolase	Q02401	Rattus norvegicus	Predicted (SEA)	11.8331
Click to view 3D structure	Neutral alpha-glucosidase C	Q8TET4	Humans	Predicted (SEA)	11.9109
Click to view 3D structure	Alpha-galactosidase A	D3ZJF9	Rattus norvegicus	Predicted (SEA)	11.9109
Click to view 3D structure	GIM-1 protein	Q704V1	Pseudomonas aeruginosa	Predicted (SEA)	1307.17
Click to view 3D structure	Alpha-glucosidase MAL62	P07265	Saccharomyces cerevisiae	Predicted (SEA)	12.378
Click to view 3D structure	Beta-galactosidase	D3ZUM4	Rattus norvegicus	Predicted (SEA)	16.9711
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	684.295
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	5391.45
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	989.697
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	4053.3
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	732.172
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	7441.76
Click to view 3D structure	Glucoamylase, intracellular sporulation-specific	P08019	Saccharomyces cerevisiae S288c	Predicted (SEA)	21.6421
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	7775.74
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	7769.12
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	7772.62
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7776.98
Click to view 3D structure	Alpha-1,2-mannosidase (BT_3965)	Q8A0Q6	Bacteroides thetaiotaomicron	Predicted (SEA)	575.15