2-Propenoic acid, 2-methyl-, 1-methylethenyl ester (CED0117689)

Record Information

Version

1.0

Creation Date

2026-04-04 16:26:26 UTC

Update Date

2026-04-04 16:26:26 UTC

Accession Number

CHEM076631

Identification

Common Name

2-Propenoic acid, 2-methyl-, 1-methylethenyl ester

Class

Small Molecule

Description

2-Propenoic acid, 2-methyl-, 1-methylethenyl ester belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid derivative has the chemical formula C7H10O2 and an average molecular weight of 126.16 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₀O₂

Average Molecular Mass

126.155 g/mol

Monoisotopic Mass

126.068 g/mol

CAS Registry Number

93942-70-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=C)OC(=O)C(C)=C

InChI Identifier

InChI=1S/C7H10O2/c1-5(2)7(8)9-6(3)4/h1,3H2,2,4H3

InChI Key

PKFBISBCCISXKA-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
2301.0	Log mg/kg	[1300:4100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
519	Electrodes	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
735	Explosives	Defense & military infrastructure	Not Available
736	Fuses	Electrical & Electronic Equipment	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	Complement factor D	P32038	Rattus norvegicus	Predicted (SEA)	129.93
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	10.3539
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	6914.8
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	6785.1
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7116.82
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	6728.9
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	6832.59
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	5421.73
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	6480.79
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	6747.5
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	4883.17
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	4479.37
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	109.067
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	4903.88
Click to view 3D structure	Serpin H1	P50454	Humans	Predicted (SEA)	275.275
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7454.53
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7315.88
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7304.75
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	6134.91
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7258.82
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7142.2
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	6787.6
Click to view 3D structure	Prolyl oligopeptidase family protein	A6H249	Flavobacterium psychrophilum (strain JIP02/86 / ATCC 49511)	Predicted (SEA)	172.592
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	6223.5
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	65.1598