AromaDb: A Database of Plant's Aroma Molecules

2,2,4,4,7,7-Hexamethyloctahydro-1H-Indene Details

: IUPAC Name
2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID41207
Molecular Weight (mg/mol)208.383
Molecular FormulaC15H28
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
Canonical SMILESCC1(C)CC2C(C1)C(C)(C)CCC2(C)C
PUBCHEM IUPAC INCHIKEYRKCBUJRCTQZATH-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-1.605

Absorption and Metabolism information

XLOGP3 AA6
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP984.699
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.97081 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2,2,4,4,7,7-Hexamethyloctahydro-1H-Indene

Compound Image


2D Structure

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