AromaDb: A Database of Plant's Aroma Molecules

N-Dodecane Details

: IUPAC Name
dodecane
:Chemical Class
:CAS Registry Number
112-40-3
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID8182
Molecular Weight (mg/mol)170.335
Molecular FormulaC12H26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
IUPAC Namedodecane
Canonical SMILESCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYSNRUBQQJIBEYMU-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-1.017

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.845
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD506.38272 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Severe
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed 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 CXCL8 Homo sapiens n-dodecane results in increased expression of and results in increased secretion of CXCL8 protein increases^expression|increases^secretion 19720135
3 112-40-3 IL1A Homo sapiens n-dodecane results in increased expression of and results in increased secretion of IL1A protein increases^expression|increases^secretion 19720135
4 112-40-3 IL1A Homo sapiens n-dodecane results in increased expression of and results in increased secretion of IL1A protein increases^expression|increases^secretion 19720135
5 112-40-3 IL6 Homo sapiens n-dodecane results in increased expression of and results in increased secretion of IL6 protein increases^expression|increases^secretion 19720135
6 112-40-3 IL6 Homo sapiens n-dodecane results in increased expression of and results in increased secretion of IL6 protein increases^expression|increases^secretion 19720135
7 112-40-3 IL6 Rattus norvegicus n-dodecane results in increased expression of IL6 protein increases^expression 19152832
8 112-40-3 IL6 Rattus norvegicus n-dodecane results in increased expression of IL6 protein increases^expression 19152832
9 112-40-3 POMC Rattus norvegicus n-dodecane results in increased expression of POMC protein modified form increases^expression 19152832
10 112-40-3 POMC Rattus norvegicus n-dodecane results in increased expression of POMC protein modified form increases^expression 19152832
11 112-40-3 TAC1 Rattus norvegicus n-dodecane results in increased expression of TAC1 protein modified form increases^expression 19152832
12 112-40-3 TAC1 Rattus norvegicus n-dodecane results in increased expression of TAC1 protein modified form increases^expression 19152832
13 112-40-3 TNF Rattus norvegicus n-dodecane results in increased expression of TNF protein increases^expression 15451557
14 112-40-3 TNF Rattus norvegicus n-dodecane results in increased expression of TNF protein increases^expression 15451557
Serial No.Activity Name DetailsReferences (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 NameVariety NameEssential OilCompound 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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(External database - ChemAxon)