2,3,4-trimethylpent-2-ene (CED0212607)

Record Information

Version

1.0

Creation Date

2026-08-24 16:35:10 UTC

Update Date

2026-08-24 16:35:10 UTC

SynCED ID

CED0212607

Secondary Accession Numbers

CHEM251938

Identification

Common Name

2,3,4-trimethylpent-2-ene

Class

Small Molecule

Description

2,3,4-trimethylpent-2-ene is an organic compound with the chemical formula C8H16 and an average molecular weight of 112.21 g/mol. 2,3,4-trimethylpent-2-ene belongs to the branched unsaturated hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds. This compound has been identified in or released from six recorded sources. These sources include household cleaning and consumer products, specifically tobacco smoke filters. Additionally, it is associated with electrical and electronic equipment, including electrodes, hybrid capacitors, radio transmission systems, amplifiers, and conductors or conductive bodies characterised by the conductive materials.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₆

Average Molecular Mass

112.210 g/mol

Monoisotopic Mass

112.125 g/mol

CAS Registry Number

565-77-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3

InChI Key

SZFRZEBLZFTODC-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
2718.0 Log mg/kg [1500:4800]	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
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	PubChem
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
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
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
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000578	Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.	Industrial manufacturing & chemical processing	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	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
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	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	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.167 Low confidence Statistical Significance 0.972 Supporting Reference Compounds 136 E-value 7567.1
Click to view 3D structure	Reverse transcriptase	Q06347	Human immunodeficiency virus 2	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.133 Low confidence Statistical Significance 0.0886 Supporting Reference Compounds 1 E-value 689.511
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.133 Low confidence Statistical Significance 0.0238 Supporting Reference Compounds 1 E-value 185.048
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.167 Low confidence Statistical Significance 0.9983 Supporting Reference Compounds 451 E-value 7772.0
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.154 Low confidence Statistical Significance 0.7165 Supporting Reference Compounds 40 E-value 5578.05
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.167 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 823 E-value 7775.27
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.167 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 686 E-value 7775.35
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.143 Low confidence Statistical Significance 0.9149 Supporting Reference Compounds 40 E-value 7122.5
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.16 Low confidence Statistical Significance 0.9966 Supporting Reference Compounds 407 E-value 7758.38
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.185 Low confidence Statistical Significance 0.9984 Supporting Reference Compounds 373 E-value 7772.39
Click to view 3D structure	Macrophage scavenger receptor types I and II	P21757	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.0386 Supporting Reference Compounds 1 E-value 300.342
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.005 Supporting Reference Compounds 1 E-value 39.236
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.185 Low confidence Statistical Significance 0.9851 Supporting Reference Compounds 109 E-value 7669.24
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.185 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 297 E-value 7771.06
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P16050	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.179 Low confidence Statistical Significance 0.93 Supporting Reference Compounds 46 E-value 7239.98
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.185 Low confidence Statistical Significance 0.9812 Supporting Reference Compounds 98 E-value 7638.96
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.154 Low confidence Statistical Significance 0.8484 Supporting Reference Compounds 42 E-value 6604.57
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.132 Low confidence Statistical Significance 0.9893 Supporting Reference Compounds 185 E-value 7701.86
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.132 Low confidence Statistical Significance 0.9956 Supporting Reference Compounds 380 E-value 7750.82
Click to view 3D structure	Glutamine synthetase	P0A9C5	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.121 Low confidence Statistical Significance 0.0478 Supporting Reference Compounds 1 E-value 372.119
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.121 Low confidence Statistical Significance 0.0349 Supporting Reference Compounds 1 E-value 271.927
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.167 Low confidence Statistical Significance 0.9511 Supporting Reference Compounds 47 E-value 7404.16
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.132 Low confidence Statistical Significance 0.9994 Supporting Reference Compounds 955 E-value 7780.64
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.16 Low confidence Statistical Significance 0.9969 Supporting Reference Compounds 332 E-value 7760.79
Click to view 3D structure	Trace amine-associated receptor 1	Q8HZ64	Macaca mulatta	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.143 Low confidence Statistical Significance 0.3098 Supporting Reference Compounds 8 E-value 2411.85