2,5-Diethyltetrahydrofuran Details
: IUPAC Name
2,5-diethyloxolane
:Chemical Class
:CAS Registry Number
41239-48-9
:Description
:Fragrance Type
carmellic
Physical and Chemical properties
PUBCHEM ID | 62913 |
Molecular Weight (mg/mol) | 128.212 |
Molecular Formula | C8H16O |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
IUPAC Name | 2,5-diethyloxolane |
Canonical SMILES | CCC1CCC(CC)O1 |
PUBCHEM IUPAC INCHIKEY | YKWLEIXVUHRKEF-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | |
Absorption and Metabolism information
XLOGP3 AA | 2.5 |
CACTVS TPSA | 9.2 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 0 |
AlogP98 | 2.313 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 2.32327 g/kg_body_weight |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Mild |
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 |
41239-48-9 |
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Plant Variety and Essential oils