Triisopropyl phosphate (CED0032935)

Record Information

Version

1.0

Creation Date

2026-04-03 08:39:57 UTC

Update Date

2026-08-25 16:06:12 UTC

Accession Number

CHEM062976

Identification

Common Name

Triisopropyl phosphate

Class

Small Molecule

Description

Triisopropyl phosphate is an organic compound with the formula C9H21O4P and an average molecular weight of 224.24 g/mol. Triisopropyl phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This substance has been found in or released from two recorded sources, specifically thin magnetic films and power cables within electrical and electronic equipment. Regarding plastics, its presence in polypropylene remains inconclusive.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Triisopropyl phosphoric acid	Generator

Chemical Formula

C₉H₂₁O₄P₁

Average Molecular Mass

224.237 g/mol

Monoisotopic Mass

224.118 g/mol

CAS Registry Number

513-02-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)OP(=O)(OC(C)C)OC(C)C

InChI Identifier

InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3

InChI Key

OXFUXNFMHFCELM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic phosphoric acids and derivatives

Sub Class

Phosphate esters

Direct Parent

Trialkyl phosphates

Alternative Parents

Substituents

Trialkyl phosphate
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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

Not Available

Spectra

Not Available

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
284.0	Log mg/kg	[160:500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
529	Power Cables	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
602	Molluscicides	Agriculture & land management	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	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	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	363.867
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	496.367
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	197.27
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	4386.57
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	11.7552
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	3696.13
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	4835.22
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	5174.33
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	4967.79
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	1335.04
Click to view 3D structure	Glutamine synthetase	P0A9C5	Escherichia coli K-12	Predicted (SEA)	22.4984
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	6274.41
Click to view 3D structure	Lysosomal protective protein	P10619	Humans	Predicted (SEA)	844.041
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	22.5763
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	758.251
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	6836.33
Click to view 3D structure	2-dehydro-3-deoxyphosphooctonate aldolase	Q9JZ55	Neisseria meningitidis serogroup B (strain MC58)	Predicted (SEA)	24.6782
Click to view 3D structure	D-alanyl-D-alanine carboxypeptidase	P39045	Actinomadura sp. (strain R39)	Predicted (SEA)	584.881
Click to view 3D structure	D-alanyl-D-alanine dipeptidase	Q06241	Enterococcus faecium	Predicted (SEA)	119.421
Click to view 3D structure	Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3	Q8WN95	Bos taurus	Predicted (SEA)	4.82665
Click to view 3D structure	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Q6P549	Mus musculus	Predicted (SEA)	16.3483
Click to view 3D structure	Type II inositol 1,4,5-trisphosphate 5-phosphatase	P32019	Humans	Predicted (SEA)	16.3483
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	6.30579
Click to view 3D structure	Fructose-bisphosphate aldolase A	P00883	Oryctolagus cuniculus	Predicted (SEA)	10.7432
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	7263.41