4-methyl-2-methylidenepentanoic acid (CED0201447)

Record Information

Version

1.0

Creation Date

2026-08-23 19:12:29 UTC

Update Date

2026-08-23 19:12:29 UTC

Accession Number

CHEM237971

Identification

Common Name

4-methyl-2-methylidenepentanoic acid

Class

Small Molecule

Description

4-methyl-2-methylidenepentanoic acid is an organic compound with the formula C7H12O2 and an average molecular weight of 128.17 g/mol. 4-methyl-2-methylidenepentanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This compound is found in or released from five recorded sources. These sources include household items such as credit card holders, as well as food, food processing, and cookware, specifically the processing of meats. Additionally, it is associated with electrical and electronic equipment, including selectors, gas filled discharge tubes with solid cathodes, and discharge lamps.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₂O₂

Average Molecular Mass

128.170 g/mol

Monoisotopic Mass

128.084 g/mol

CAS Registry Number

25044-10-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)

InChI Key

XQIHFGYUMFFCFG-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2494.0	Log mg/kg	[1400:4400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
532	Selectors	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
572	Credit Card Holders	Household items	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available

Pathways

0 pathways

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	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	3.03612
Click to view 3D structure	Aminodeoxyfutalosine synthase	Q5SK48	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)	Predicted (SEA)	10.2761
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	Q13002	Humans	Predicted (SEA)	4.67095
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	72.789
Click to view 3D structure	Metabotropic glutamate receptor 1	Q13255	Humans	Predicted (SEA)	63.7585
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	3.11397
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	9.49761
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	373.209
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	332.416
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	11.2881
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	10.1982
Click to view 3D structure	Glutamine synthetase	P0A9C5	Escherichia coli K-12	Predicted (SEA)	8.87481
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	6.92858
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	575.461
Click to view 3D structure	Pepsin A	P00791	Sus scrofa	Predicted (SEA)	330.314
Click to view 3D structure	Glutamate receptor 1	P42261	Humans	Predicted (SEA)	67.5731
Click to view 3D structure	Glutamate receptor ionotropic, kainate 5	Q16478	Humans	Predicted (SEA)	14.8692
Click to view 3D structure	Cathepsin D	P80209	Bos taurus	Predicted (SEA)	271.382
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	Q13003	Humans	Predicted (SEA)	18.8395
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	103.851
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	48.8893
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	1748.42
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	2453.11
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	5.44945
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	7.23998