AromaDb: A Database of Plant's Aroma Molecules

Terpinen-4-Ol Details

: IUPAC Name
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
562-74-3
:Description

:Fragrance Type
must

Physical and Chemical properties

PUBCHEM ID11230
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
Canonical SMILESC/C1=C/CC(O)(C(C)C)CC1
PUBCHEM IUPAC INCHIKEYWRYLYDPHFGVWKC-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.374

Absorption and Metabolism information

XLOGP3 AA2.2
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.55
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 LD501.01134 g/kg_body_weight
Ocular IrritancySevere
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 562-74-3 Terpinen-4-Ol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Peppermint Tushar Mentha piperita Tushar essential oil
2 Sweet flag, Vach, Bhoja CIM-Balya Acorus calamus CIM-Balya essential oil
3 Bergot mint Kiran Mentha citrata Kiran essential oil
4 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
5 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
6 Dusky Geranium phaeum essential oil
7 Hook Cymbopogon microstachys essential oil
8 Curry tree Murraya koenigii essential oil
9 Lemon beebalm, Lemon mint Monarda citriodora essential oil
10 Oliveria Oliveria decumbens essential oil
11 Garden Mint, Pudina Ganga Mentha Viridis essential oil
12 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha essential oil
13 Lemongrass GRL-1 Cymbopogon flexuosus GRL-1 essential oil
14 Lemongrass Nima Cymbopogon flexuosus Nima essential oil
15 Lemongrass Praman Cymbopogon flexuosus praman essential oil
16 Java Cittronella Jalpallavi Cymbopogon winterianus Jalpallavi essential oil
17 Rose, Damask Rose Noorjahan Rosa damascena Noorjahan essential oil
18 Rose, Damask Rose Ranisahiba Rose Ranisahiba essential oil
19 Water dropwort Oenanthe crocata essential oil
20 Water dropwort Oenanthe crocata essential oil
21 Levisticum officinalis Levisticum aofficinalis essential oil
22 Gum rockrose Cistus ladanifer essential oil
23 Gum rockrose Cistus ladanifer ESSENTIAL OIL
24 Myrtle Myrtus communis essential oil
25 Horse Mint Mentha longifolia essential oil
26 Snowbell styrax officinalis essential oil
27 Catnip, Catswort, or Catmint Nepeta cataria essential oil
28 Bay laurel, Sweet bay, Bay tree Laurus nobilis essential oil
29 Common yarrow Achillea millefolium essential oil
30 Bulgarian fir Abies borisii-regis essential oil
31 Abies cephalonica Abies cephalonica essential oil
32 silver fir Abies alba essential oil
33 Shell ginger Alpinia zerumbet essential oil
34 Amyris elimifera Amyris elimifera essential oil
35 Custard apple Annona reticulata essential oil
36 Bushkiller Cayratia japonica essential oil
37 Bushkiller Cayratia japonica essential oil
38 Chrysanthemum coronarium Chrysanthemum indicum essential oil
39 Mums Chrysanthemum indicum essential oil
40 Wild carrot Daucus carota ssp. carota essential oil
41 Wild carrot Daucus carota essential oil
42 Southern blue-gum Eucalyptus globulus essential oil
43 Pitanga Eugenia uniflora essential oil

Compound Image


2D Structure

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(External database - ChemAxon)