2,6-Dimethyl-2,6-octadien-8-ol Details
: IUPAC Name
Geraniol
:Chemical Class
Monoterpene
:CAS Registry Number
106-24-1
:Description
:Fragrance Type
rose-like aroma
Physical and Chemical properties
PUBCHEM ID | 4458 |
Molecular Weight (mg/mol) | 154.254 |
Molecular Formula | C10H18O |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
IUPAC Name | Geraniol |
Canonical SMILES | C/C(C)=C/CC/C(C)=C/CO |
PUBCHEM IUPAC INCHIKEY | GLZPCOQZEFWAFX-JXMROGBWSA-N |
Solubility Level | 3 |
Vapour Pressure | -1.555 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 30.21 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.934 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 3.92477 |
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 |
106-24-1 |
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2 |
106-24-1 |
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3 |
106-24-1 |
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4 |
106-24-1 |
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5 |
106-24-1 |
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