Phellandral

  • Identifiers

    CAS number
    21391-98-0

    Molecular formula
    C10H16O

    SMILES
    CC(C)C1CCC(=CC1)C=O

    Retention indicies (RI)

    • DB5: 1273.0
    • Carbowax: 1722.25

  • Odor profile

    green 78.66%
    herbal 72.64%
    spicy 64.18%
    fresh 53.47%
    aldehydic 52.19%
    woody 50.66%
    fatty 46.08%
    mint 44.65%
    citrus 41.65%
    leafy 39.89%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7 Well soluble in DEP, BB, MMB

    Molecular weight
    152.23 g/mol

  • Synonyms

    • Phellandral
    • 21391-98-0
    • p-menth-1-en-7-al
    • 4-Isopropylcyclohexenecarbaldehyde
    • 4-propan-2-ylcyclohexene-1-carbaldehyde
    • (S)-Phellandral
    • O55U5SW7ZR
    • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
    • 4-(propan-2-yl)cyclohex-1-ene-1-carbaldehyde
    • EINECS 244-355-1
    • 4-PROPAN-2-YLCYCLOHEXENE-1-CARBOXALDEHYDE
    • 4-(1-METHYLETHYL)-1-CYCLOHEXENE-1-CARBOXALDEHYDE
    • 4-[1-Methylethyl]-1-cyclohexene-1-carboxaldehyde
    • UNII-O55U5SW7ZR
    • SCHEMBL220029
    • DTXSID50871323
    • CHEBI:167401
    • 4-Isopropyl-1-cyclohexene-1-carbaldehyde
    • NS00050435
    • EN300-2918380
    • Q27285352
    • Z1511742698
1 4

Botanical

Name CAS Botanical Proportion
Artemisia nilagirica (vulgaris) (India) 1 Artemisia nilagirica (C.B. Clarks) Pamp. (A. vulgaris Hook f.), Asteraceae 0.42%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.12%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.2%
Schinus molle 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.2%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.05%
Olibanum, African (Somalia) 2 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.1%
Wartara (India) 1 pericarp Zanthoxylum armatum DC. (Z. alatum Roxb.), fam. Rutaceae 0.08%
Pepper, black 3 8006-82-4 Piper nigrum L., fam. Piperaceae 0.2%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.3%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.5%
Geum montanum root Geum montanum L., fam. Rosaceae 0.14%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Lime (Mexican, West Indian, Key) (Ivory Coast) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Wartara (India) 2 seed Zanthoxylum armatum DC. (Z. alatum Roxb.), fam. Rutaceae 0.8%
Cubeb 2 8007-87-2 Piper cubeba L., fam. Piperaceae 0.05%
Eucalyptus globulus (Spain) 2a old leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.52%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 9.38%
Eucalyptus globulus (Yugoslavia) 1a leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 2.42%
Licaria salicifolia Licaria salicifolia (Sw.) Kosterm., fam. Lauraceae 0.05%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Eucalyptus camaldulensis (Israel) Eucalyptus camaldulensis Dehn., fam. Myrtaceae 3.8%
Seafennel (Greece) 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.5%
Wartara (India) 3 seed Zanthoxylum armatum DC. (Z. alatum Roxb.), fam Rutaceae 0.05%
Niaouli (India) Melaleuca quinquenervia (Cav.) S.T. Blake, fam. Myrtaceae 0.05%
Celery seed (India) 5 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.5%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 1.2%
Homalomena aromatica rhizome (India) Homalomena aromatica Schott. (Calla aromatica), fam. Araceae 0.3%