[(e)-but-2-enyl] butanoate (CED0211960)

Record Information

Version

1.0

Creation Date

2026-08-24 15:22:11 UTC

Update Date

2026-08-24 15:22:11 UTC

SynCED ID

CED0211960

Secondary Accession Numbers

CHEM251179

Identification

Common Name

[(e)-but-2-enyl] butanoate

Class

Small Molecule

Description

[(e)-but-2-enyl] butanoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C8H14O2 and an average molecular weight of 142.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₄O₂

Average Molecular Mass

142.200 g/mol

Monoisotopic Mass

142.099 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+

InChI Key

RTMMLEZUIUUHHW-HWKANZROSA-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
8872.0 Log mg/kg [5000:16000]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
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	Not Available
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	Not Available
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	Not Available
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	Not Available
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	Not Available

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	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.298 Low confidence Statistical Significance 8.90e-04 Supporting Reference Compounds 1 E-value 6.92858
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.298 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 21 E-value 15.1027
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.298 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 31 E-value 16.0369
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.298 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 40 E-value 22.732
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.298 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 30 E-value 13.3122
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.286 Low confidence Statistical Significance 0.0414 Supporting Reference Compounds 192 E-value 322.296
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.286 Low confidence Statistical Significance 0.0324 Supporting Reference Compounds 127 E-value 252.543
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.286 Low confidence Statistical Significance 0.0201 Supporting Reference Compounds 89 E-value 156.399
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.286 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 21 E-value 27.3251
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.286 Low confidence Statistical Significance 0.0285 Supporting Reference Compounds 197 E-value 221.715
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.311 Statistical Significance 0.0295 Supporting Reference Compounds 102 E-value 229.733
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.286 Low confidence Statistical Significance 0.0142 Supporting Reference Compounds 83 E-value 110.857
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.286 Low confidence Statistical Significance 0.0636 Supporting Reference Compounds 106 E-value 495.199
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.255 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 10 E-value 13.5458
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.298 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 9 E-value 9.34191
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.298 Low confidence Statistical Significance 0.0729 Supporting Reference Compounds 104 E-value 567.287
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.279 Low confidence Statistical Significance 0.1412 Supporting Reference Compounds 200 E-value 1099.39
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.279 Low confidence Statistical Significance 0.1286 Supporting Reference Compounds 175 E-value 1000.91
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.286 Low confidence Statistical Significance 0.0064 Supporting Reference Compounds 19 E-value 49.9792
Click to view 3D structure	Probable G-protein coupled receptor 34	Q9UPC5	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.255 Low confidence Statistical Significance 0.0059 Supporting Reference Compounds 11 E-value 46.3203
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.279 Low confidence Statistical Significance 0.024 Supporting Reference Compounds 39 E-value 186.916
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.279 Low confidence Statistical Significance 0.0689 Supporting Reference Compounds 63 E-value 536.537
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 0.001 Supporting Reference Compounds 1 E-value 8.17417
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.298 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 3 E-value 11.1324
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.298 Low confidence Statistical Significance 0.0128 Supporting Reference Compounds 40 E-value 99.4913