1-octen-3-01 Details
: IUPAC Name
(3S)-oct-1-en-3-ol
:Chemical Class
Alcohol
:CAS Registry Number
:Description
:Fragrance Type
Physical and Chemical properties
PUBCHEM ID | 2724898 |
Molecular Weight (mg/mol) | 128.212 |
Molecular Formula | C8H16O |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 5 |
IUPAC Name | (3S)-oct-1-en-3-ol |
Canonical SMILES | C=CC(O)CCCCC |
PUBCHEM IUPAC INCHIKEY | VSMOENVRRABVKN-MRVPVSSYSA-N |
Solubility Level | 4 |
Vapour Pressure | -0.648 |
Absorption and Metabolism information
XLOGP3 AA | 2.6 |
CACTVS TPSA | 20.2 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.528 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Single-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 1.37649 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 |
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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1-octen-3-01 |
Plant Variety and Essential oils