Phosphine, 1,3-propanediylbis[bis(2-methoxyphenyl)- (CED0181932)

Record Information

Version

1.0

Creation Date

2026-03-26 21:53:04 UTC

Update Date

2026-08-22 10:36:10 UTC

SynCED ID

CED0181932

Secondary Accession Numbers

CHEM056542

Identification

Common Name

Phosphine, 1,3-propanediylbis[bis(2-methoxyphenyl)-

Class

Small Molecule

Description

Phosphine, 1,3-propanediylbis[bis(2-methoxyphenyl)- is a chemical compound with the formula C31H34O4P2. Phosphine, 1,3-propanediylbis[bis(2-methoxyphenyl)- belongs to the anisoles, a subclass of phenol ethers within the organic compounds. With an average molecular weight of 532.56 g/mol, Phosphine, 1,3-propanediylbis[bis(2-methoxyphenyl)- is a heavy molecule. This substance is recorded as being found in or released from electrical and electronic equipment, specifically superconductive or hyperconductive conductors, cables, or transmission lines. It is further classified under the superclass of benzenoids.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₁H₃₄O₄P₂

Average Molecular Mass

532.557 g/mol

Monoisotopic Mass

532.193 g/mol

CAS Registry Number

116163-96-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=C(C=CC=C1)P(CCCP(C1=C(OC)C=CC=C1)C1=C(OC)C=CC=C1)C1=C(OC)C=CC=C1

InChI Identifier

InChI=1S/C31H34O4P2/c1-32-24-14-5-9-18-28(24)36(29-19-10-6-15-25(29)33-2)22-13-23-37(30-20-11-7-16-26(30)34-3)31-21-12-8-17-27(31)35-4/h5-12,14-21H,13,22-23H2,1-4H3

InChI Key

SXXPTCXIFIOPQF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Phenoxy compound
Methoxybenzene
Anisole
Alkyl aryl ether
Monocyclic benzene moiety
Phosphine
Ether
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organophosphorus compound
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5836.0 Log mg/kg [3300:10000]	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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.	Electrical & Electronic Equipment	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	PubChem
CEDs000652	Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000672	Light Than Air Aircraft?Light than air aircraft, such as dirigibles and airships, utilize lifting gases like helium or hydrogen for buoyancy.	Aviation & Aerospace	PubChem
CEDs000697	Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.	Marine, shipping & aquaculture	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.48 Statistical Significance 0.0225 Supporting Reference Compounds 242 E-value 175.316
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.326 Statistical Significance 0.043 Supporting Reference Compounds 380 E-value 334.907
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.368 Statistical Significance 0.0445 Supporting Reference Compounds 385 E-value 346.507
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.318 Statistical Significance 0.0992 Supporting Reference Compounds 953 E-value 772.42
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.308 Statistical Significance 0.0759 Supporting Reference Compounds 541 E-value 591.265
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.368 Statistical Significance 0.0391 Supporting Reference Compounds 310 E-value 304.235
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.368 Statistical Significance 0.0385 Supporting Reference Compounds 297 E-value 299.875
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.368 Statistical Significance 0.0356 Supporting Reference Compounds 266 E-value 277.299
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.4 Statistical Significance 0.0482 Supporting Reference Compounds 340 E-value 375.233
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.304 Statistical Significance 0.1178 Supporting Reference Compounds 823 E-value 916.752
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.286 Low confidence Statistical Significance 0.0832 Supporting Reference Compounds 565 E-value 647.55
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.308 Statistical Significance 0.0866 Supporting Reference Compounds 528 E-value 674.096
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.311 Statistical Significance 0.0881 Supporting Reference Compounds 593 E-value 686.241
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.308 Statistical Significance 0.1537 Supporting Reference Compounds 1103 E-value 1196.54
Click to view 3D structure	5-hydroxytryptamine receptor 7	P32305	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.308 Statistical Significance 0.0262 Supporting Reference Compounds 115 E-value 203.809
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.308 Statistical Significance 0.1272 Supporting Reference Compounds 861 E-value 990.553
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.351 Applicability Domain 0.368 Statistical Significance 0.007 Supporting Reference Compounds 373 E-value 54.8059
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.347 Applicability Domain 0.368 Statistical Significance 0.0165 Supporting Reference Compounds 406 E-value 128.14
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.368 Statistical Significance 0.0101 Supporting Reference Compounds 234 E-value 78.6277
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.337 Applicability Domain 0.368 Statistical Significance 8.80e-04 Supporting Reference Compounds 52 E-value 6.85073
Click to view 3D structure	Transcription factor EB	P19484	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.316 Statistical Significance 9.00e-04 Supporting Reference Compounds 1 E-value 7.00643
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.48 Statistical Significance 0.0293 Supporting Reference Compounds 332 E-value 228.176
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.48 Statistical Significance 0.0148 Supporting Reference Compounds 172 E-value 115.606
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.48 Statistical Significance 0.0335 Supporting Reference Compounds 372 E-value 260.483
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.48 Statistical Significance 0.0441 Supporting Reference Compounds 472 E-value 343.237