1,1-Dimethoxyethane Details
: IUPAC Name
1,1-dimethoxyethane
:Chemical Class
Alkane
:CAS Registry Number
534-15-6
:Description
:Fragrance Type
NA
Physical and Chemical properties
PUBCHEM ID | 10795 |
Molecular Weight (mg/mol) | 90.124 |
Molecular Formula | C4H10O2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
IUPAC Name | 1,1-dimethoxyethane |
Canonical SMILES | COC(C)OC |
PUBCHEM IUPAC INCHIKEY | SPEUIVXLLWOEMJ-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | 2.345 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 18.46 |
BBB Level | 4 |
Absorption Level | 1 |
EXT PPB#Prediction | 0 |
AlogP98 | 0.079 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 1.71307 |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 1 |
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 |
534-15-6 |
NA |
NA |
NA |
NA |
NA |