Plaunotol

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  • Identifiers

    CAS number
    64218-02-6

    Molecular formula
    C20H34O2

    SMILES
    CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/CO)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 80.24%
    Waxy 56.05%
    Sweet 53.65%
    Rose 52.58%
    Fruity 44.59%
    Fresh 42.9%
    Balsamic 42.08%
    Woody 39.92%
    Lily 35.61%
    Muguet 35.58%

     

    Flavor
    Floral 74.11%
    Waxy 55.99%
    Sweet 50.65%
    Citrus 45.17%
    Rose 43.71%
    Fresh 39.42%
    Green 38.98%
    Orange 35.63%
    Flower 35.48%
    Balsam 35.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    8.84 (weak base)

    Molecular weight
    306.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 194.56 ˚C est.

  • Synonyms

    • plaunotol
    • Kelnac
    • 64218-02-6
    • Plaunotolum
    • CS-684
    • 18-hydroxygeranylgeraniol
    • (E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol
    • DTXSID701024319
    • (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol
    • MV715X4634
    • CHEBI:32023
    • (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol
    • (2Z,6E)-2-((3E)-4,8-dimethylnona-3,7-dien-1-yl)-6-methylocta-2,6-diene-1,8-diol
    • (2Z,6E)-2-((3E)-4,8-dimethylnona-3,7-dienyl)-6-methylocta-2,6-diene-1,8-diol
    • RefChem:929431
    • 7-hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol
    • DTXCID20910117
    • 2,6-Octadiene-1,8-diol, 2-[(3e)-4,8-dimethyl-3,7-nonadienyl]-6-methyl-, (2Z,6E)-
    • Plaunotolum [Latin]
    • Plaunotol [INN:JAN]
    • CS 684; Kelnac
    • Kelnac (TN)
    • UNII-MV715X4634
    • Plaunotol (JAN/INN)
    • PLAUNOTOL [INN]
    • PLAUNOTOL [JAN]
    • PLAUNOTOL [MI]
    • PLAUNOTOL [MART.]
    • PLAUNOTOL [WHO-DD]
    • 2,6-Octadiene-1,8-diol, 2-(4,8-dimethyl-3,7-nonadienyl)-6-methyl-, (Z,E,E)-
    • SCHEMBL440334
    • CHEMBL285815
    • orb1695647
    • EX-A15073
    • AKOS016014100
    • LMPR0104010010
    • (2Z,6E)-2-((3E)-4,8-Dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadiene-1,8-diol
    • 2,6,10,14-HEXADECATETRAEN-1-OL, 7-(HYDROXYMETHYL)-3,11,15-TRIMETHYL-, (E,Z,E)-
    • DA-76953
    • HY-106789
    • CS-0026557
    • D01803
    • Q27114751
    • 64218-02-6

  • Applications

    Plaunotol (CAS 64218-02-6) is a natural diterpenoid that has been studied as a bioactive compound and may serve as a precursor for the synthesis of other diterpenoids or related natural products in pharmaceutical research; it is also considered a potential ingredient for cosmetic and personal care formulations, where it may act as an active component or building block. In fragrance research, Plaunotol is of interest for aroma studies and product development; in addition, it can be used as an analytical reference standard or as a synthetic intermediate for chemical synthesis and manufacturing. Actual usage depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.95
    methanol 43.54
    isopropanol 29.83
    water 0.02
    ethyl acetate 76.74
    n-propanol 52.16
    acetone 30.77
    n-butanol 67.4
    acetonitrile 9.4
    DMF 25.39
    toluene 38.59
    isobutanol 28.57
    1,4-dioxane 145.9
    methyl acetate 32.17
    THF 319.08
    2-butanone 60.12
    n-pentanol 54.82
    sec-butanol 48.76
    n-hexane 13.47
    ethylene glycol 1.17
    NMP 42.94
    cyclohexane 21.19
    DMSO 55.45
    n-butyl acetate 77.7
    n-octanol 24.65
    chloroform 115.45
    n-propyl acetate 66.63
    acetic acid 18.35
    dichloromethane 87.35
    cyclohexanone 91.74
    propylene glycol 6.34
    isopropyl acetate 62.38
    DMAc 85.03
    2-ethoxyethanol 91.47
    isopentanol 58.63
    n-heptane 12.2
    ethyl formate 20.05
    1,2-dichloroethane 66.53
    n-hexanol 58.91
    2-methoxyethanol 79.26
    isobutyl acetate 49.05
    tetrachloromethane 18.83
    n-pentyl acetate 58.97
    transcutol 503.07
    n-heptanol 34.8
    ethylbenzene 27.73
    MIBK 62.31
    2-propoxyethanol 106.26
    tert-butanol 55.49
    MTBE 124.62
    2-butoxyethanol 80.4
    propionic acid 15.9
    o-xylene 28.81
    formic acid 4.46
    diethyl ether 142.51
    m-xylene 30.97
    p-xylene 26.42
    chlorobenzene 30.67
    dimethyl carbonate 9.51
    n-octane 3.61
    formamide 7.02
    cyclopentanone 76.05
    2-pentanone 71.02
    anisole 64.66
    cyclopentyl methyl ether 116.77
    gamma-butyrolactone 57.15
    1-methoxy-2-propanol 79.09
    pyridine 63.71
    3-pentanone 54.87
    furfural 51.01
    n-dodecane 1.77
    diethylene glycol 27.79
    diisopropyl ether 38.83
    tert-amyl alcohol 71.59
    acetylacetone 56.25
    n-hexadecane 2.06
    acetophenone 51.98
    methyl propionate 40.51
    isopentyl acetate 82.49
    trichloroethylene 100.66
    n-nonanol 28.15
    cyclohexanol 47.13
    benzyl alcohol 32.88
    2-ethylhexanol 46.14
    isooctanol 34.49
    dipropyl ether 112.92
    1,2-dichlorobenzene 33.91
    ethyl lactate 22.3
    propylene carbonate 34.0
    n-methylformamide 10.42
    2-pentanol 46.98
    n-pentane 10.25
    1-propoxy-2-propanol 102.73
    1-methoxy-2-propyl acetate 97.67
    2-(2-methoxypropoxy) propanol 87.66
    mesitylene 22.38
    ε-caprolactone 88.75
    p-cymene 22.82
    epichlorohydrin 121.59
    1,1,1-trichloroethane 54.52
    2-aminoethanol 8.08
    morpholine-4-carbaldehyde 74.53
    sulfolane 78.4
    2,2,4-trimethylpentane 9.57
    2-methyltetrahydrofuran 182.72
    n-hexyl acetate 65.47
    isooctane 6.17
    2-(2-butoxyethoxy)ethanol 128.54
    sec-butyl acetate 65.3
    tert-butyl acetate 96.26
    decalin 9.81
    glycerin 9.29
    diglyme 266.32
    acrylic acid 8.45
    isopropyl myristate 26.96
    n-butyric acid 52.58
    acetyl acetate 30.48
    di(2-ethylhexyl) phthalate 24.16
    ethyl propionate 58.28
    nitromethane 23.41
    1,2-diethoxyethane 179.3
    benzonitrile 22.7
    trioctyl phosphate 15.44
    1-bromopropane 63.41
    gamma-valerolactone 117.84
    n-decanol 18.65
    triethyl phosphate 38.85
    4-methyl-2-pentanol 35.4
    propionitrile 18.77
    vinylene carbonate 24.04
    1,1,2-trichlorotrifluoroethane 59.12
    DMS 26.49
    cumene 21.52
    2-octanol 20.84
    2-hexanone 76.82
    octyl acetate 31.24
    limonene 37.88
    1,2-dimethoxyethane 203.85
    ethyl orthosilicate 50.05
    tributyl phosphate 20.18
    diacetone alcohol 80.75
    N,N-dimethylaniline 49.68
    acrylonitrile 11.95
    aniline 32.07
    1,3-propanediol 23.11
    bromobenzene 32.3
    dibromomethane 66.14
    1,1,2,2-tetrachloroethane 107.46
    2-methyl-cyclohexyl acetate 75.14
    tetrabutyl urea 27.71
    diisobutyl methanol 32.84
    2-phenylethanol 42.34
    styrene 26.82
    dioctyl adipate 43.81
    dimethyl sulfate 16.07
    ethyl butyrate 84.7
    methyl lactate 14.26
    butyl lactate 41.48
    diethyl carbonate 41.35
    propanediol butyl ether 47.26
    triethyl orthoformate 84.67
    p-tert-butyltoluene 23.32
    methyl 4-tert-butylbenzoate 63.48
    morpholine 209.98
    tert-butylamine 41.32
    n-dodecanol 12.55
    dimethoxymethane 65.13
    ethylene carbonate 23.52
    cyrene 59.15
    2-ethoxyethyl acetate 86.66
    2-ethylhexyl acetate 67.85
    1,2,4-trichlorobenzene 40.44
    4-methylpyridine 54.78
    dibutyl ether 62.4
    2,6-dimethyl-4-heptanol 32.84
    DEF 73.35
    dimethyl isosorbide 155.02
    tetrachloroethylene 63.06
    eugenol 56.34
    triacetin 61.97
    span 80 68.21
    1,4-butanediol 8.05
    1,1-dichloroethane 46.74
    2-methyl-1-pentanol 59.37
    methyl formate 6.3
    2-methyl-1-butanol 53.37
    n-decane 4.52
    butyronitrile 33.69
    3,7-dimethyl-1-octanol 32.54
    1-chlorooctane 20.21
    1-chlorotetradecane 5.7
    n-nonane 4.14
    undecane 2.61
    tert-butylcyclohexane 10.46
    cyclooctane 7.75
    cyclopentanol 30.2
    tetrahydropyran 230.99
    tert-amyl methyl ether 105.79
    2,5,8-trioxanonane 161.56
    1-hexene 40.77
    2-isopropoxyethanol 74.94
    2,2,2-trifluoroethanol 4.32
    methyl butyrate 72.65

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction