(2-Phenylethyl)phosphonic acid (CED0032921)

Record Information

Version

1.0

Creation Date

2026-04-04 01:53:02 UTC

Update Date

2026-04-04 01:53:02 UTC

SynCED ID

CED0032921

Secondary Accession Numbers

CHEM070395

Identification

Common Name

(2-Phenylethyl)phosphonic acid

Class

Small Molecule

Description

(2-Phenylethyl)phosphonic acid belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C8H11O3P1 and an average molecular weight of 186.15 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₁O₃P₁

Average Molecular Mass

186.147 g/mol

Monoisotopic Mass

186.045 g/mol

CAS Registry Number

4672-30-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OP(O)(=O)CCC1=CC=CC=C1

InChI Identifier

InChI=1S/C8H11O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)

InChI Key

BFDYSJCMAFSRDH-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2638.0 Log mg/kg [1500:4700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000635	Buttons?Buttons, often made from synthetic materials such as polyester, nylon, or polycarbonate, can be a source of synthetic chemical contamination during their production, use, and disposal.	Textiles, leather & furnishings	PubChem
CEDs000655	Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.	Textiles, leather & furnishings	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	Glutamyl aminopeptidase	P16406	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.5 Applicability Domain 0.5 Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	GIM-1 protein	Q704V1	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.441 Applicability Domain 0.515 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Mandelate racemase	P11444	Pseudomonas putida	Predicted (SEA)	Prediction Confidence Score 0.414 Applicability Domain 0.414 Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Endoplasmic reticulum aminopeptidase 2	Q6P179	Humans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.486 Statistical Significance 0.0015 Supporting Reference Compounds 22 E-value 11.4438
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	Prediction Confidence Score 0.384 Applicability Domain 0.486 Statistical Significance 0.0025 Supporting Reference Compounds 42 E-value 19.3066
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.384 Applicability Domain 0.486 Statistical Significance 0.0017 Supporting Reference Compounds 40 E-value 13.4679
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	Prediction Confidence Score 0.373 Applicability Domain 0.5 Statistical Significance 0.001 Supporting Reference Compounds 18 E-value 7.86277
Click to view 3D structure	Cytosol aminopeptidase	P28839	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.39 Statistical Significance 2.90e-04 Supporting Reference Compounds 11 E-value 2.25763
Click to view 3D structure	Prostatic acid phosphatase	P15309	Humans	Predicted (SEA)	Prediction Confidence Score 0.351 Applicability Domain 0.429 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.423 Statistical Significance 0.0015 Supporting Reference Compounds 63 E-value 11.5995
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.375 Statistical Significance 0.0287 Supporting Reference Compounds 562 E-value 223.661
Click to view 3D structure	Endoplasmic reticulum aminopeptidase 1	Q9NZ08	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.39 Statistical Significance 0.0032 Supporting Reference Compounds 19 E-value 24.6004
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.423 Statistical Significance 0.0187 Supporting Reference Compounds 380 E-value 145.967
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.375 Statistical Significance 0.017 Supporting Reference Compounds 229 E-value 132.188
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.415 Statistical Significance 0.0119 Supporting Reference Compounds 269 E-value 92.407
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.415 Statistical Significance 0.0153 Supporting Reference Compounds 176 E-value 118.954
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.337 Applicability Domain 0.415 Statistical Significance 0.0232 Supporting Reference Compounds 400 E-value 180.688
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.375 Statistical Significance 0.011 Supporting Reference Compounds 207 E-value 85.3227
Click to view 3D structure	Inositol monophosphatase 1	P20456	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.327 Statistical Significance 1.00e-04 Supporting Reference Compounds 1 E-value 0.778492
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.425 Statistical Significance 4.20e-04 Supporting Reference Compounds 22 E-value 3.26967
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.425 Statistical Significance 2.70e-04 Supporting Reference Compounds 14 E-value 2.10193
Click to view 3D structure	Beta-lactamase	Q9K2N0	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.415 Statistical Significance 4.00e-05 Supporting Reference Compounds 8 E-value 0.311397
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.425 Statistical Significance 3.40e-04 Supporting Reference Compounds 15 E-value 2.64687
Click to view 3D structure	Phospholipase A and acyltransferase 4	Q9UL19	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.317 Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.4438
Click to view 3D structure	Phospholipase A and acyltransferase 5	Q96KN8	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.317 Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.4438