(Z)-5-Octenoic Acid Details
:
IUPAC Name
(Z)-oct-5-enoic acid
:Chemical Class
Acid
:CAS Registry Number
:Description
:Fragrance Type
greasy
Physical and Chemical properties
| PUBCHEM ID | 5282718 |
| Molecular Weight (g/mol) | 142.196 |
| Molecular Formula | C8H14O2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| IUPAC Name | (Z)-oct-5-enoic acid |
| Canonical SMILES | CC/C=C/CCCC(=O)O |
| PUBCHEM IUPAC INCHIKEY | RRGOKSYVAZDNKR-ARJAWSKDSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -2.169 |
Absorption and Metabolism information
| XLOGP3 AA | 1.9 |
| CACTVS TPSA | 37.3 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.298 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 3.0413 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
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 | ||||||
| 2 | ||||||
| 3 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | (Z)-5-Octenoic Acid |
Compound Image
-5-Octenoic Acid.png)
2D Structure
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