[8]-Paradol

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  • Identifiers

    CAS number
    27113-23-1

    Molecular formula
    C19H30O3

    SMILES
    CCCCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.03%
    Balsamic 31.53%
    Sweet 30.87%
    Waxy 28.65%
    Floral 28.55%
    Warm 28.34%
    Woody 28.06%
    Odorless 27.95%
    Vanilla 27.37%
    Milky 26.86%

     

    Flavor
    Herbal 54.01%
    Woody 40.99%
    Spicy 39.25%
    Mild 28.23%
    Oily 27.3%
    Warm 27.29%
    Celery 24.69%
    Spice 24.6%
    Jasmin 23.96%
    Bland 23.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    10.26 (weak base)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Melting point expt.

    • 42 - 43 °C

    Flash point

    • 166.72 ˚C est.

  • Synonyms

    • 1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
    • [8]-Paradol
    • 3-Dodecanone, 1-(4-hydroxy-3-methoxyphenyl)-
    • BRN 1991002
    • DTXSID50181575
    • 2-08-00-00319 (Beilstein Handbook Reference)
    • (8)-Paradol
    • 4-Hydroxy-3-methoxyphenethyl nonyl ketone
    • RefChem:69791
    • DTXCID90104066
    • TYQRTQZWHUXDLG-UHFFFAOYSA-N
    • 8-Paradol
    • 27113-23-1
    • 1-(4-Hydroxy-3-methoxyphenyl)-3-dodecanone
    • SCHEMBL4877010
    • CHEMBL4075383
    • SCHEMBL29711594
    • CHEBI:174936
    • MFCD00931435
    • H38740
    • 27113-23-1

  • Applications

    [8]-Paradol (CAS 27113-23-1) is a ginger-related phenylpropanoid compound that is used as an aroma and flavor ingredient in fragrances and flavor applications; it is also considered for use in cosmetics and personal care as a fragrance component; it is considered for household cleaning products to impart scent; in industrial manufacturing, it can serve as an intermediate in the synthesis of related aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2306.95
    methanol 3167.46
    isopropanol 1159.26
    water 0.06
    ethyl acetate 3136.67
    n-propanol 1405.26
    acetone 4104.28
    n-butanol 841.65
    acetonitrile 1587.04
    DMF 1264.29
    toluene 225.89
    isobutanol 625.92
    1,4-dioxane 2101.46
    methyl acetate 1649.08
    THF 2649.1
    2-butanone 1891.43
    n-pentanol 390.49
    sec-butanol 628.1
    n-hexane 3.51
    ethylene glycol 61.99
    NMP 429.79
    cyclohexane 34.85
    DMSO 3286.27
    n-butyl acetate 660.12
    n-octanol 98.74
    chloroform 1708.36
    n-propyl acetate 1022.95
    acetic acid 1061.23
    dichloromethane 2286.18
    cyclohexanone 1835.52
    propylene glycol 173.47
    isopropyl acetate 1207.44
    DMAc 1030.17
    2-ethoxyethanol 1073.39
    isopentanol 562.68
    n-heptane 4.43
    ethyl formate 894.44
    1,2-dichloroethane 1793.93
    n-hexanol 223.76
    2-methoxyethanol 2008.71
    isobutyl acetate 473.55
    tetrachloromethane 156.2
    n-pentyl acetate 439.29
    transcutol 2341.35
    n-heptanol 112.48
    ethylbenzene 99.96
    MIBK 631.84
    2-propoxyethanol 662.47
    tert-butanol 1198.73
    MTBE 1156.26
    2-butoxyethanol 359.44
    propionic acid 667.07
    o-xylene 119.94
    formic acid 193.48
    diethyl ether 1146.75
    m-xylene 117.91
    p-xylene 135.63
    chlorobenzene 374.57
    dimethyl carbonate 284.08
    n-octane 4.79
    formamide 552.04
    cyclopentanone 1761.71
    2-pentanone 1655.76
    anisole 336.33
    cyclopentyl methyl ether 656.95
    gamma-butyrolactone 1559.57
    1-methoxy-2-propanol 1150.04
    pyridine 1086.72
    3-pentanone 735.08
    furfural 917.02
    n-dodecane 5.55
    diethylene glycol 374.92
    diisopropyl ether 131.43
    tert-amyl alcohol 641.59
    acetylacetone 1831.17
    n-hexadecane 6.6
    acetophenone 361.65
    methyl propionate 1137.31
    isopentyl acetate 539.33
    trichloroethylene 2240.69
    n-nonanol 95.36
    cyclohexanol 532.6
    benzyl alcohol 288.63
    2-ethylhexanol 113.14
    isooctanol 105.81
    dipropyl ether 181.88
    1,2-dichlorobenzene 333.48
    ethyl lactate 229.62
    propylene carbonate 689.76
    n-methylformamide 863.2
    2-pentanol 358.77
    n-pentane 3.41
    1-propoxy-2-propanol 429.04
    1-methoxy-2-propyl acetate 615.55
    2-(2-methoxypropoxy) propanol 268.09
    mesitylene 72.66
    ε-caprolactone 1339.49
    p-cymene 59.71
    epichlorohydrin 2295.69
    1,1,1-trichloroethane 1080.35
    2-aminoethanol 291.3
    morpholine-4-carbaldehyde 805.73
    sulfolane 1255.14
    2,2,4-trimethylpentane 8.83
    2-methyltetrahydrofuran 1237.13
    n-hexyl acetate 417.6
    isooctane 6.79
    2-(2-butoxyethoxy)ethanol 475.7
    sec-butyl acetate 534.16
    tert-butyl acetate 974.56
    decalin 15.6
    glycerin 191.25
    diglyme 1198.03
    acrylic acid 342.88
    isopropyl myristate 115.09
    n-butyric acid 1500.71
    acetyl acetate 1007.79
    di(2-ethylhexyl) phthalate 105.34
    ethyl propionate 702.86
    nitromethane 2912.33
    1,2-diethoxyethane 751.18
    benzonitrile 383.58
    trioctyl phosphate 73.65
    1-bromopropane 603.84
    gamma-valerolactone 2272.24
    n-decanol 65.72
    triethyl phosphate 138.79
    4-methyl-2-pentanol 160.68
    propionitrile 813.71
    vinylene carbonate 585.06
    1,1,2-trichlorotrifluoroethane 864.0
    DMS 346.42
    cumene 61.47
    2-octanol 83.29
    2-hexanone 674.08
    octyl acetate 156.7
    limonene 92.93
    1,2-dimethoxyethane 1707.19
    ethyl orthosilicate 135.18
    tributyl phosphate 105.0
    diacetone alcohol 776.65
    N,N-dimethylaniline 151.44
    acrylonitrile 881.53
    aniline 325.28
    1,3-propanediol 748.18
    bromobenzene 375.28
    dibromomethane 1207.97
    1,1,2,2-tetrachloroethane 1732.85
    2-methyl-cyclohexyl acetate 236.8
    tetrabutyl urea 134.7
    diisobutyl methanol 83.32
    2-phenylethanol 228.34
    styrene 143.41
    dioctyl adipate 198.6
    dimethyl sulfate 358.77
    ethyl butyrate 445.31
    methyl lactate 262.71
    butyl lactate 275.19
    diethyl carbonate 267.58
    propanediol butyl ether 270.43
    triethyl orthoformate 233.29
    p-tert-butyltoluene 57.1
    methyl 4-tert-butylbenzoate 267.08
    morpholine 2631.33
    tert-butylamine 372.28
    n-dodecanol 47.68
    dimethoxymethane 1343.57
    ethylene carbonate 658.62
    cyrene 235.22
    2-ethoxyethyl acetate 706.74
    2-ethylhexyl acetate 330.83
    1,2,4-trichlorobenzene 353.0
    4-methylpyridine 791.67
    dibutyl ether 196.91
    2,6-dimethyl-4-heptanol 83.32
    DEF 976.27
    dimethyl isosorbide 467.87
    tetrachloroethylene 951.13
    eugenol 253.39
    triacetin 420.58
    span 80 221.39
    1,4-butanediol 193.43
    1,1-dichloroethane 1557.31
    2-methyl-1-pentanol 288.8
    methyl formate 600.03
    2-methyl-1-butanol 430.58
    n-decane 10.04
    butyronitrile 868.7
    3,7-dimethyl-1-octanol 117.22
    1-chlorooctane 72.73
    1-chlorotetradecane 24.48
    n-nonane 8.36
    undecane 7.01
    tert-butylcyclohexane 13.31
    cyclooctane 5.44
    cyclopentanol 489.45
    tetrahydropyran 2224.01
    tert-amyl methyl ether 435.42
    2,5,8-trioxanonane 624.69
    1-hexene 52.83
    2-isopropoxyethanol 574.02
    2,2,2-trifluoroethanol 230.23
    methyl butyrate 1049.97

    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