1,3-p-Menthadien-7-al Details
: IUPAC Name
1,3-p-Menthadien-7-al
:Chemical Class
Aldehyde
:CAS Registry Number
1197-15-5
:Description
:Fragrance Type
spicy aroma??????
Physical and Chemical properties
PUBCHEM ID | 526762 |
Molecular Weight (mg/mol) | 150.222 |
Molecular Formula | C10H14O |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
IUPAC Name | 1,3-p-Menthadien-7-al |
Canonical SMILES | CC(C)/C1=C/C=C(C=O)CC1 |
PUBCHEM IUPAC INCHIKEY | MKVBITWQDIIUMF-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -0.777 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 37.29 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.614 |
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 | 0.81611 |
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 |
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1 |
1197-15-5 |
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