2,2-dimethylbut-3-enoic acid (CED0192861)

Record Information

Version

1.0

Creation Date

2026-08-23 04:23:23 UTC

Update Date

2026-08-23 04:23:23 UTC

SynCED ID

CED0192861

Secondary Accession Numbers

CHEM227026

Identification

Common Name

2,2-dimethylbut-3-enoic acid

Class

Small Molecule

Description

2,2-dimethylbut-3-enoic acid (C6H10O2) is an organic compound with an average molecular weight of 114.14 g/mol. 2,2-dimethylbut-3-enoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It has been identified in one recorded source, specifically associated with food, food processing and cookware in the context of processing meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₀O₂

Average Molecular Mass

114.140 g/mol

Monoisotopic Mass

114.068 g/mol

CAS Registry Number

10276-09-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)

InChI Key

SCFWAOWWAANBPY-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
3449.0 Log mg/kg [1900:6100]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	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
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
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	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	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

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	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0045 Supporting Reference Compounds 1 E-value 35.0322
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.211 Low confidence Statistical Significance 0.5159 Supporting Reference Compounds 127 E-value 4016.24
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.259 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 14.0907
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.211 Low confidence Statistical Significance 0.4937 Supporting Reference Compounds 89 E-value 3843.34
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.211 Low confidence Statistical Significance 0.6632 Supporting Reference Compounds 192 E-value 5163.19
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.0634 Supporting Reference Compounds 1 E-value 493.253
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.182 Low confidence Statistical Significance 0.5298 Supporting Reference Compounds 197 E-value 4124.22
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.2713
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.121 Supporting Reference Compounds 1 E-value 942.287
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.25 Low confidence Statistical Significance 0.4181 Supporting Reference Compounds 56 E-value 3254.72
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.178 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 28.7264
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.25 Low confidence Statistical Significance 0.5559 Supporting Reference Compounds 85 E-value 4327.87
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.216 Low confidence Statistical Significance 0.9735 Supporting Reference Compounds 1301 E-value 7578.54
Click to view 3D structure	Fatty acid-binding protein, liver	P02692	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.211 Low confidence Statistical Significance 0.1019 Supporting Reference Compounds 13 E-value 793.517
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.216 Low confidence Statistical Significance 0.961 Supporting Reference Compounds 707 E-value 7481.62
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.182 Low confidence Statistical Significance 0.0393 Supporting Reference Compounds 21 E-value 306.181
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.235 Low confidence Statistical Significance 0.8203 Supporting Reference Compounds 372 E-value 6386.21
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.256 Low confidence Statistical Significance 0.7788 Supporting Reference Compounds 167 E-value 6062.9
Click to view 3D structure	CXXC-type zinc finger protein 5	Q7LFL8	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.171 Low confidence Statistical Significance 0.0522 Supporting Reference Compounds 1 E-value 406.684
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.2 Low confidence Statistical Significance 0.9924 Supporting Reference Compounds 1538 E-value 7725.83
Click to view 3D structure	Lysine-specific demethylase 4E	B2RXH2	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.216 Low confidence Statistical Significance 0.414 Supporting Reference Compounds 39 E-value 3222.8
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.186 Low confidence Statistical Significance 0.7999 Supporting Reference Compounds 141 E-value 6226.85
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.182 Low confidence Statistical Significance 0.7988 Supporting Reference Compounds 106 E-value 6218.52
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.172 Low confidence Statistical Significance 0.404 Supporting Reference Compounds 35 E-value 3144.95
Click to view 3D structure	Metabotropic glutamate receptor 1	Q13255	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.25 Low confidence Statistical Significance 0.6651 Supporting Reference Compounds 68 E-value 5177.83