AromaDb: A Database of Plant's Aroma Molecules

Citronellol Details

: IUPAC Name
3,7-dimethyloct-6-en-1-ol
:Chemical Class
Monoterpene
:CAS Registry Number
106-22-9
:Description

:Fragrance Type
rose

Physical and Chemical properties

PUBCHEM ID8842
Molecular Weight (mg/mol)156.265
Molecular FormulaC10H20O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
IUPAC Name3,7-dimethyloct-6-en-1-ol
Canonical SMILESC/C(C)=CCCC(C)CCO
PUBCHEM IUPAC INCHIKEYQMVPMAAFGQKVCJ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.426

Absorption and Metabolism information

XLOGP3 AA3.2
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.049
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 LD505.47809 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

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
1 106-22-9 FBP1 Rattus norvegicus citronellol inhibits the reaction [Streptozocin results in increased activity of FBP1 protein] decreases^reaction|increases^activity 26944432
2 106-22-9 G6PC Rattus norvegicus citronellol inhibits the reaction [Streptozocin results in increased activity of G6PC protein] decreases^reaction|increases^activity 26944432
3 106-22-9 G6PD Rattus norvegicus citronellol inhibits the reaction [Streptozocin results in decreased activity of G6PD protein] decreases^activity|decreases^reaction 26944432
4 106-22-9 INS1 Rattus norvegicus citronellol inhibits the reaction [Streptozocin results in decreased expression of INS1 protein] decreases^expression|decreases^reaction 26944432
5 106-22-9 TRPV1 Homo sapiens citronellol binds to and results in increased activity of TRPV1 protein affects^binding|increases^activity 20686244
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 106-22-9 Citronellol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Geranium Pelargonium roseum essential oil
2 Geranium, Rose Scented Geranium CIM-BIO 171 Pelargonium graveolens CIM-BIO 171 essential oil
3 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
4 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
5 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
6 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
7 Java Cittronella CIM-Jeeva Cymbopogon winterianus CIM-Jeeva essential oil
8 Java Cittronella CIMAP-Bio-13 Cymbopogon winterianus CIMAP-Bio-13 essential oil
9 Lemon grass Cymbopogan citratus essential oil
10 Cymbopogon Cymbopogon nardus essential oil
11 Oliveria Oliveria decumbens essential oil
12 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
13 Java Cittronella Manjusha Cymbopogon winterianus Manjusha essential oil
14 Lemongrass GRL-1 Cymbopogon flexuosus GRL-1 essential oil
15 Rose, Damask Rose Noorjahan Rosa damascena Noorjahan essential oil
16 Rose, Damask Rose Ranisahiba Rose Ranisahiba essential oil
17 Water dropwort Oenanthe crocata essential oil
18 Water dropwort Oenanthe crocata essential oil
19 Clove basil, African basil Ocimum gratissimum essential oil
20 Lemon balm Melissa officinalis essential oil
21 Garden heliotrope Galium odoratum essential oil
22 Abies sachalinensis Abies sachalinensis essential oil
23 Ginger Zingiber officinale essential oil
24 Dictamnus albus Dictamnus albus essential oil
25 Elsholtzia blanda Elsholtzia blanda essential oil

Compound Image


2D Structure

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(External database - ChemAxon)