N-Dodecane Details
:
IUPAC Name
dodecane
:Chemical Class
:CAS Registry Number
112-40-3
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 8182 |
| Molecular Weight (g/mol) | 170.335 |
| Molecular Formula | C12H26 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 9 |
| IUPAC Name | dodecane |
| Canonical SMILES | CCCCCCCCCCCC |
| PUBCHEM IUPAC INCHIKEY | SNRUBQQJIBEYMU-UHFFFAOYSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -1.017 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 0 |
| BBB Level | 0 |
| Absorption Level | 1 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 5.845 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 6.38272 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Severe |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 112-40-3 | CXCL8 | Homo sapiens | n-dodecane results in increased expression of and results in increased secretion of CXCL8 protein | increases^expression|increases^secretion | 19720135 |
| 2 | 112-40-3 | IL1A | Homo sapiens | n-dodecane results in increased expression of and results in increased secretion of IL1A protein | increases^expression|increases^secretion | 19720135 |
| 3 | 112-40-3 | IL6 | Homo sapiens | n-dodecane results in increased expression of and results in increased secretion of IL6 protein | increases^expression|increases^secretion | 19720135 |
| 4 | 112-40-3 | IL6 | Rattus norvegicus | n-dodecane results in increased expression of IL6 protein | increases^expression | 19152832 |
| 5 | 112-40-3 | POMC | Rattus norvegicus | n-dodecane results in increased expression of POMC protein modified form | increases^expression | 19152832 |
| 6 | 112-40-3 | TAC1 | Rattus norvegicus | n-dodecane results in increased expression of TAC1 protein modified form | increases^expression | 19152832 |
| 7 | 112-40-3 | TNF | Rattus norvegicus | n-dodecane results in increased expression of TNF protein | increases^expression | 15451557 |
| 8 | 112-40-3 | CXCL8 | Homo sapiens | n-dodecane results in increased expression of and results in increased secretion of CXCL8 protein | increases^expression|increases^secretion | 19720135 |
| 9 | 112-40-3 | IL1A | Homo sapiens | n-dodecane results in increased expression of and results in increased secretion of IL1A protein | increases^expression|increases^secretion | 19720135 |
| 10 | 112-40-3 | IL6 | Homo sapiens | n-dodecane results in increased expression of and results in increased secretion of IL6 protein | increases^expression|increases^secretion | 19720135 |
| 11 | 112-40-3 | IL6 | Rattus norvegicus | n-dodecane results in increased expression of IL6 protein | increases^expression | 19152832 |
| 12 | 112-40-3 | POMC | Rattus norvegicus | n-dodecane results in increased expression of POMC protein modified form | increases^expression | 19152832 |
| 13 | 112-40-3 | TAC1 | Rattus norvegicus | n-dodecane results in increased expression of TAC1 protein modified form | increases^expression | 19152832 |
| 14 | 112-40-3 | TNF | Rattus norvegicus | n-dodecane results in increased expression of TNF protein | increases^expression | 15451557 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 112-40-3 | N-Dodecane |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Psyllium, isabgol or isabhghula | Mayuri | Plantago ovata Mayuri essential oil | |
| 2 | Psyllium, isabgol or isabhghula | Nimisha | Plantago ovata Nimisha essential oil |
Compound Image
2D Structure
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