1-propylcyclopenta-1,3-diene (CED0312975)

Record Information

Version

1.0

Creation Date

2026-09-01 12:22:23 UTC

Update Date

2026-09-01 12:22:23 UTC

SynCED ID

CED0312975

Secondary Accession Numbers

CHEM358822

Identification

Common Name

1-propylcyclopenta-1,3-diene

Class

Small Molecule

Description

1-propylcyclopenta-1,3-diene is a chemical compound with the formula C8H12. It has an average molecular weight of 108.18 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₂

Average Molecular Mass

Not Available

Monoisotopic Mass

108.094 g/mol

CAS Registry Number

27288-07-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCC1=CC=CC1

InChI Identifier

InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5,7H2,1H3

InChI Key

RZPAXISDLOEXPI-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
2956.0 Log mg/kg [1700:5300]	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
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000692	Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	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
CEDs000705	Bookbinding?Bookbinding involves the use of various synthetic chemicals, including adhesives, inks, and coatings, which can contribute to environmental contamination.	Paper, pulp & fiber products	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
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	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.206 Low confidence Statistical Significance 0.0129 Supporting Reference Compounds 1 E-value 100.27
Click to view 3D structure	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.009 Supporting Reference Compounds 2 E-value 70.3757
Click to view 3D structure	G-protein coupled receptor 83	P30731	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.19 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 2 E-value 40.793
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.206 Low confidence Statistical Significance 0.6271 Supporting Reference Compounds 201 E-value 4882.31
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.206 Low confidence Statistical Significance 0.9068 Supporting Reference Compounds 506 E-value 7059.06
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.19 Low confidence Statistical Significance 0.9456 Supporting Reference Compounds 1103 E-value 7361.34
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.188 Low confidence Statistical Significance 0.9755 Supporting Reference Compounds 1130 E-value 7594.5
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.19 Low confidence Statistical Significance 0.0524 Supporting Reference Compounds 15 E-value 408.086
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.206 Low confidence Statistical Significance 0.9261 Supporting Reference Compounds 593 E-value 7209.69
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.206 Low confidence Statistical Significance 0.9252 Supporting Reference Compounds 487 E-value 7202.45
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.19 Low confidence Statistical Significance 0.9449 Supporting Reference Compounds 861 E-value 7355.82
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.206 Low confidence Statistical Significance 0.8839 Supporting Reference Compounds 340 E-value 6881.17
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.206 Low confidence Statistical Significance 0.8939 Supporting Reference Compounds 386 E-value 6959.25
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.0911 Supporting Reference Compounds 1 E-value 709.284
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.19 Low confidence Statistical Significance 0.9266 Supporting Reference Compounds 527 E-value 7213.66
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.206 Low confidence Statistical Significance 0.9335 Supporting Reference Compounds 451 E-value 7267.61
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.189 Low confidence Statistical Significance 0.7348 Supporting Reference Compounds 104 E-value 5720.13
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.209 Low confidence Statistical Significance 0.9904 Supporting Reference Compounds 1538 E-value 7710.42
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.184 Low confidence Statistical Significance 0.7675 Supporting Reference Compounds 182 E-value 5975.16
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.184 Low confidence Statistical Significance 0.3025 Supporting Reference Compounds 92 E-value 2354.63
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.19 Low confidence Statistical Significance 0.9248 Supporting Reference Compounds 425 E-value 7199.89
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.206 Low confidence Statistical Significance 0.9156 Supporting Reference Compounds 391 E-value 7127.95
Click to view 3D structure	Sphingosine 1-phosphate receptor 3	Q99500	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.2 Low confidence Statistical Significance 0.6206 Supporting Reference Compounds 59 E-value 4831.17
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.188 Low confidence Statistical Significance 0.9214 Supporting Reference Compounds 541 E-value 7172.87
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.188 Low confidence Statistical Significance 0.983 Supporting Reference Compounds 825 E-value 7652.97