Undecanoic Acid Details
: IUPAC Name
undecanoic acid
:Chemical Class
Acid
:CAS Registry Number
112-37-8
:Description
:Fragrance Type
Fatty aroma
Physical and Chemical properties
PUBCHEM ID | 8180 |
Molecular Weight (mg/mol) | 186.291 |
Molecular Formula | C11H22O2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 9 |
IUPAC Name | undecanoic acid |
Canonical SMILES | CCCCCCCCCCC(=O)O |
PUBCHEM IUPAC INCHIKEY | ZDPHROOEEOARMN-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -2.928 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 37.3 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 4.111 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 4.25802 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 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|
1 | | |
|
112-37-8 |
Undecanoic Acid |