Lauryl acetate Details
: IUPAC Name
dodecyl acetate
:Chemical Class
:CAS Registry Number
112-66-3
:Description
:Fragrance Type
citrus-rose aroma
Physical and Chemical properties
PUBCHEM ID | 8205 |
Molecular Weight (mg/mol) | 228.378 |
Molecular Formula | C14H28O2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 5 |
IUPAC Name | dodecyl acetate |
Canonical SMILES | CCCCCCCCCCCCOC(C)=O |
PUBCHEM IUPAC INCHIKEY | VZWGRQBCURJOMT-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure | -2.668 |
Absorption and Metabolism information
XLOGP3 AA | 5.6 |
CACTVS TPSA | 26.3 |
BBB Level | 0 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 4.999 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Non-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 13.5458 |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | NA |
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 |
---|
1 |
112-66-3 |
NA |
NA |
NA |
NA |
NA |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|
1 | | |
|
112-66-3 |
Lauryl acetate |