(E,E)-2,4-Decadienal Details
: IUPAC Name
(2Z,4E)-deca-2,4-dienal
:Chemical Class
Aldehyde
:CAS Registry Number
:Description
:Fragrance Type
fat
Physical and Chemical properties
PUBCHEM ID | 6428553 |
Molecular Weight (mg/mol) | 152.233 |
Molecular Formula | C10H16O |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 6 |
IUPAC Name | (2Z,4E)-deca-2,4-dienal |
Canonical SMILES | CCCCC/C=C/C=C/C=O |
PUBCHEM IUPAC INCHIKEY | JZQKTMZYLHNFPL-MUIOLIGRSA-N |
Solubility Level | 3 |
Vapour Pressure | -0.759 |
Absorption and Metabolism information
XLOGP3 AA | 3.2 |
CACTVS TPSA | 17.1 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 3.21 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 2.18372 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 | Severe |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
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1 |
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Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
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1 | | |
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(E,E)-2,4-Decadienal |
Plant Variety and Essential oils