AromaDb: A Database of Plant's Aroma Molecules

P-Cymene Details

: IUPAC Name
1-methyl-4-propan-2-ylbenzene
:Chemical Class
Monoterpene
:CAS Registry Number
99-87-6
:Description

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID7463
Molecular Weight (mg/mol)134.218
Molecular FormulaC10H14
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name1-methyl-4-propan-2-ylbenzene
Canonical SMILESCc1ccc(C(C)C)cc1
PUBCHEM IUPAC INCHIKEYHFPZCAJZSCWRBC-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure0.055

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.51
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.43138 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 99-87-6 LDLR Ovis aries 4-cymene affects the activity of LDLR protein affects^activity 15663186
2 99-87-6 LDLR Ovis aries 4-cymene affects the activity of LDLR protein affects^activity 15663186
3 99-87-6 LDLR Ovis aries 4-cymene affects the activity of LDLR protein affects^activity 15663186
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 99-87-6 P-Cymene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Fennel, Saunf CIM-sujal Foeniculum vulgare CIM-Sujal essential oil
2 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
3 Spearmint Neera Mentha spicata Neera essential oil
4 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
5 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
6 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
7 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
8 Java Cittronella CIM-Jeeva Cymbopogon winterianus CIM-Jeeva essential oil
9 Java Cittronella CIMAP-Bio-13 Cymbopogon winterianus CIMAP-Bio-13 essential oil
10 Curry tree Murraya koenigii essential oil
11 American wild mint Mentha essential canadensis essential oil
12 Lemon beebalm, Lemon mint Monarda citriodora essential oil
13 Garden Mint, Pudina Ganga Mentha Viridis essential oil
14 Garden Mint, Pudina Supriya Mentha Viridis Supriya essential oil
15 Java Cittronella Mandakni Cymbopogon winterianus Mandakni essential oil
16 Lemongrass Nima Cymbopogon flexuosus Nima essential oil
17 Lemongrass Praman Cymbopogon flexuosus praman essential oil
18 Java Cittronella Medini Cymbopogon winterianus Medni essential oil
19 Languas galanga Alpinia galanga essential oil
20 Oregano Origanum vulgare essential oil
21 Feverfew Tanacetum parthenium essential oil
22 Garden angelica Angelica archangelican essential oil
23 Gum rockrose Cistus ladanifer essential oil
24 Gum rockrose Cistus ladanifer ESSENTIAL OIL
25 Lemon myrtle, Lemon scented myrtle, Lemon scented ironwood Backhousia citriodora essential oil
26 Myrtle Myrtus communis essential oil
27 Blackcurrant Ribes nigrum essential oil
28 Lemon balm Melissa officinalis essential oil
29 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil
30 Catnip, Catswort, or Catmint Nepeta cataria essential oil
31 Mexican pepperleaf Piper auritum essential oil
32 Mexican pepperleaf Piper auritum essential oil
33 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil
34 Pistachio Pistacia vera essential oil
35 Abies sachalinensis Abies sachalinensis essential oil
36 Aromita Acacia caven essential oil
37 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
38 sweet yarrow Achillea ageratum essential oil
39 Aframomum stipulatum Aframomum stipulatum
40 Shell ginger Alpinia zerumbet essential oil
41 Amyris elimifera Amyris elimifera essential oil
42 Dill Anethum graveolens essential oil
43 Holy Ghost Angelica archangelica essential oil
44 Custard apple Annona reticulata essential oil
45 Bottlebrushes Callistemon citrinus essential oil
46 Jamun Syzygium cordatum essential oil
47 Chaerophyllum villosum Chaerophyllum villosum essential oil
48 Chaerophyllum villosum Chaerophyllum villosum essential oil
49 Coriandrum Sativum Coriandrum sativum essential oil
50 Coriandrum Sativum Coriandrum sativum essential oil
51 Fireweed Crassocephalum crepidioides essential oil
52 Fireweed Crassocephalum crepidioides essential oil
53 Narrow-leaved turmeric Curcuma angustifolia essential oil
54 Wild carrot Daucus carota ssp. carota essential oil
55 Wild carrot Daucus carota essential oil
56 Elsholtzia blanda Elsholtzia blanda essential oil
57 Vietnamese Balm Elsholtzia ciliata essential oil
58 Satureja hortensis Satureja hortensis essential oil
59 Hibiscus surattensis Hibiscus surattensis essential oil
60 Southern blue-gum Eucalyptus globulus essential oil
61 Pitanga Eugenia uniflora essential oil
Print Back

Compound Image

2D Structure

Download



Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)
Disclaimer | © Copyright 2020
CSIR-CIMAP