Ethylacrylate Details
:
IUPAC Name
:Chemical Class
:CAS Registry Number
140-88-5
:Description
:Fragrance Type
fruity aroma
Physical and Chemical properties
| PUBCHEM ID | 8821 |
| Molecular Weight (g/mol) | 100.119 |
| Molecular Formula | C5H8O2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| IUPAC Name | |
| Canonical SMILES | C=CC(=O)OCC |
| PUBCHEM IUPAC INCHIKEY | JIGUQPWFLRLWPJ-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | 1.485 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 135.51 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.067 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Single-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 2.58294 |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 140-88-5 | AKR1B10 | Homo sapiens | ethyl acrylate results in increased expression of AKR1B10 mRNA | increases^expression | 26198647 |
| 2 | 140-88-5 | AKR1C2 | Homo sapiens | ethyl acrylate results in increased expression of AKR1C2 mRNA | increases^expression | 26198647 |
| 3 | 140-88-5 | ASF1A | Homo sapiens | ethyl acrylate results in increased expression of ASF1A mRNA | increases^expression | 26198647 |
| 4 | 140-88-5 | FBXO30 | Homo sapiens | ethyl acrylate results in increased expression of FBXO30 mRNA | increases^expression | 26198647 |
| 5 | 140-88-5 | GCLC | Homo sapiens | ethyl acrylate results in increased expression of GCLC mRNA | increases^expression | 26198647 |
| 6 | 140-88-5 | GCNT3 | Homo sapiens | ethyl acrylate results in increased expression of GCNT3 mRNA | increases^expression | 26198647 |
| 7 | 140-88-5 | LIF | Homo sapiens | ethyl acrylate results in increased expression of LIF mRNA | increases^expression | 26198647 |
| 8 | 140-88-5 | SLC7A11 | Homo sapiens | ethyl acrylate results in decreased expression of SLC7A11 mRNA | decreases^expression | 26198647 |
| 9 | 140-88-5 | TRP53 | Mus musculus | ethyl acrylate results in increased expression of TRP53 protein | increases^expression | 9667752 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 140-88-5 | Ethylacrylate |
Compound Image
2D Structure
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