2-Methylpentadecane Details
: IUPAC Name
2-methylpentadecane
:Chemical Class
Alkane
:CAS Registry Number
1560-93-6
:Description
:Fragrance Type
Physical and Chemical properties
PUBCHEM ID | 15267 |
Molecular Weight (mg/mol) | 226.441 |
Molecular Formula | C16H34 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 12 |
IUPAC Name | 2-methylpentadecane |
Canonical SMILES | CCCCCCCCCCCCCC(C)C |
PUBCHEM IUPAC INCHIKEY | BANXPJUEBPWEOT-UHFFFAOYSA-N |
Solubility Level | 1 |
Vapour Pressure | |
Absorption and Metabolism information
XLOGP3 AA | 8.6 |
CACTVS TPSA | 0 |
BBB Level | 4 |
Absorption Level | 3 |
EXT PPB#Prediction | 1 |
AlogP98 | 7.466 |
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 | Toxic |
Rat Oral LD50 | 5.21271 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 |
1560-93-6 |
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