2,9-Dimethyl-5,6-dithiadecane Details
: IUPAC Name
Diisoamyldisulfide
:Chemical Class
:CAS Registry Number
09-04-51
:Description
:Fragrance Type
Sweet oniony aroma??
Physical and Chemical properties
PUBCHEM ID | 74915 |
Molecular Weight (mg/mol) | 206.418 |
Molecular Formula | C10H22S2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
IUPAC Name | Diisoamyldisulfide |
Canonical SMILES | CC(C)CCSSCCC(C)C |
PUBCHEM IUPAC INCHIKEY | MPYGLNNTOXLWOB-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure | -1.644 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 20.23 |
BBB Level | 0 |
Absorption Level | 1 |
EXT PPB#Prediction | 0 |
AlogP98 | 4.546 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-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 | 1.054 |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | NA |
Ecological Information
Aerobic Biodegradability Prediction | Non-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 |
09-04-51 |
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|
|
|
|
2 |
09-04-51 |
|
|
|
|
|
3 |
09-04-51 |
NA |
NA |
NA |
NA |
NA |
4 |
09-04-51 |
NA |
NA |
NA |
NA |
NA |