Pentadecanoic Acid Details
: IUPAC Name
pentadecanoic acid
:Chemical Class
Acid
:CAS Registry Number
1002-84-2
:Description
:Fragrance Type
Physical and Chemical properties
PUBCHEM ID | 13849 |
Molecular Weight (mg/mol) | 242.398 |
Molecular Formula | C15H30O2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 13 |
IUPAC Name | pentadecanoic acid |
Canonical SMILES | CCCCCCCCCCCCCCC(=O)O |
PUBCHEM IUPAC INCHIKEY | WQEPLUUGTLDZJY-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure | -5.255 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 37.3 |
BBB Level | 0 |
Absorption Level | 1 |
EXT PPB#Prediction | 1 |
AlogP98 | 5.936 |
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 | 7.10446 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 |
1002-84-2 |
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Plant Variety and Essential oils