Propan-2-yl (e)-but-2-enoate (CED0064870)

Record Information

Version

1.0

Creation Date

2026-08-23 19:10:51 UTC

Update Date

2026-08-23 19:10:51 UTC

Accession Number

CHEM237958

Identification

Common Name

Propan-2-yl (e)-but-2-enoate

Class

Small Molecule

Description

Propan-2-yl (e)-but-2-enoate is an organic compound with the chemical formula C7H12O2 and an average molecular weight of 128.17 g/mol. Propan-2-yl (e)-but-2-enoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This compound is found in or released from 11 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, cores yokes or armatures, electric hearing aids, and gas filled discharge tubes with solid cathode, among five other sources. Additionally, it is recorded in building and construction materials, specifically ceilings.

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

6284-46-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+

InChI Key

AABBHSMFGKYLKE-SNAWJCMRSA-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
3476.0	Log mg/kg	[2000:6200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
540	X Ray Tubes	Electrical & Electronic Equipment	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
621	Chutes And Slides	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	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1504.67
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	297.228
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1642.31
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1493.23
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	2037.0
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	1000.36
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	1541.03
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	413.691
Click to view 3D structure	Nuclear factor erythroid 2-related factor 2	Q16236	Humans	Predicted (SEA)	238.141
Click to view 3D structure	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	1907.23
Click to view 3D structure	Transcription factor EB	P19484	Humans	Predicted (SEA)	361.687
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	6593.75
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	732.95
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	6798.11
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	6370.71
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	6488.89
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7283.5
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	6992.81
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	2669.76
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	6831.89
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	7703.18
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	6159.66
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	1855.54
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	7269.56
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase 1	P16232	Rattus norvegicus	Predicted (SEA)	1503.74