1,1-Dimethoxy-trans-2-hexene Details
: IUPAC Name
NA
:Chemical Class
Alkene
:CAS Registry Number
18318-83-7
:Description
:Fragrance Type
fruity aroma??????
Physical and Chemical properties
PUBCHEM ID | 6436486 |
Molecular Weight (mg/mol) | 144.216 |
Molecular Formula | C8H16O2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
IUPAC Name | |
Canonical SMILES | CCC/C=C/C(OC)OC |
PUBCHEM IUPAC INCHIKEY | OSVRJMZINDGZFB-VOTSOKGWSA-N |
Solubility Level | 4 |
Vapour Pressure | 0.337 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 18.46 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.05 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 2.61864 |
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 | Moderate |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
---|
1 |
18318-83-7 |
|
|
|
|
|