Allyl acrylate (CED0004124)

Record Information

Version

1.0

Creation Date

2026-04-03 08:48:41 UTC

Update Date

2026-08-23 15:25:43 UTC

Accession Number

CHEM063012

Identification

Common Name

Allyl acrylate

Class

Small Molecule

Description

Allyl acrylate is an organic compound with the chemical formula C6H8O2 and an average molecular weight of 112.13 g/mol. Allyl acrylate belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from 17 recorded sources across several diverse categories. Within electrical and electronic equipment, it is associated with antennas, coils, communication cables or conductors, discharge lamps, and electric hearing aids, among six other sources. In the context of household cleaning and consumer products, allyl acrylate is found in soap detergents, bleaching agents, and perfumes within detergents and soaps, as well as tobacco smoke filters. Additionally, the compound is linked to building and construction materials, specifically tents or canopies, and is present in food, food processing and cookware related to the processing of meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₈O₂

Average Molecular Mass

112.128 g/mol

Monoisotopic Mass

112.052 g/mol

CAS Registry Number

999-55-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C=CCOC(=O)C=C

InChI Identifier

InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2

InChI Key

QTECDUFMBMSHKR-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
246.0	Log mg/kg	[140:440]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
585	Canoes And Kayaks	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
661	Umbrellas	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	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	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	15.2584
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	5571.82
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	4873.21
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	4055.4
Click to view 3D structure	17-beta-hydroxysteroid-dehydrogenase	O93874	Cochliobolus lunatus	Predicted (SEA)	252.465
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	1706.77
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	2718.73
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	6674.56
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6311.94
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	4665.66
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	4356.99
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	4887.3
Click to view 3D structure	Transcriptional enhancer factor TEF-5	Q99594	Humans	Predicted (SEA)	749.299
Click to view 3D structure	Histidine biosynthesis bifunctional protein HisB	P06987	Escherichia coli O26:H11 str. CFSAN001629	Predicted (SEA)	52.3925
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	7409.07
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	7251.89
Click to view 3D structure	Histidine decarboxylase	P16453	Rattus norvegicus	Predicted (SEA)	456.664
Click to view 3D structure	CXXC-type zinc finger protein 5	Q7LFL8	Humans	Predicted (SEA)	551.717
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21980	Humans	Predicted (SEA)	1935.95
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7689.09
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7582.67
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7463.25
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7001.14
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	67.4174
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	4335.27