AromaDb: A Database of Plant's Aroma Molecules

Farnesane Details

: IUPAC Name
2,6,10-trimethyldodecane
:Chemical Class
:CAS Registry Number
3891-98-3
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID 19773
CAS Registry Number 0.0
Aroma Threshold 0.0
Molecular Weight (g/mol) 212.415
Molecular Formula C15H32
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 9
IUPAC Name 2,6,10-trimethyldodecane
Canonical SMILES CCC(C)CCCC(C)CCCC(C)C
PUBCHEM IUPAC INCHIKEY YFHFHLSMISYUAQ-UHFFFAOYSA-N
Solubility Level 2
Vapour Pressure -1.631

Absorption and Metabolism information

XLOGP3 AA 7.5
CACTVS TPSA 0
BBB Level 0
Absorption Level 2
EXT PPB#Prediction 1
AlogP98 6.601
EXT CYP2D6#Prediction 0

Toxicological Information

Mouse Female FDA Multi-Carcinogen
Mouse Male FDA Multi-Carcinogen
Rat Female FDA Single-Carcinogen
Rat Male FDA Non-Carcinogen
Ames Prediction Non-Mutagen
Developmental / Reproductive Toxicity Non-Toxic
Rat Oral LD50 6.54473 g/kg_body_weight
Ocular Irritancy None
Hepatotoxic#Prediction 0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction Non-Degradable

Hazard(s) Identification

Physical hazards not classified
Health hazards Severe
Environmental hazards not classified
About Table Headings

Compound Biological Activity

Serial No. Activity Name DetailsReferences (PubMed)Other details EPA (U.S) Clinical Trials (U.S. NIH)
1 3891-98-3 Farnesane

Plant Variety and Essential oils

Serial No. Plant NameVariety NameEssential OilCompound Percentage
1 Psyllium, isabgol or isabhghula Niharika Plantago ovata Niharika essential oil
2 Psyllium, isabgol or isabhghula Mayuri Plantago ovata Mayuri

Compound Image


2D Structure

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