2-Methyl-5-(8Z,11Z)-8,11-pentadecadien-1-yl-1,3-benzenediol

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  • Identifiers

    CAS number
    50423-14-8

    Molecular formula
    C22H34O2

    SMILES
    CCC/C=C\C/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 37.41%
    Waxy 36.9%
    Fatty 32.61%
    Oily 32.46%
    Balsamic 27.74%
    Woody 25.41%
    Odorless 25.13%
    Burnt 22.48%
    Meaty 22.17%
    Savory 20.6%

     

    Flavor
    Faint 21.56%
    Diterpene 20.62%
    Delicate 20.33%
    Low 20.32%
    Terpentine 20.13%
    Oriental 19.9%
    Slightly waxy 19.81%
    Woody 19.53%
    Opoponax 19.23%
    Thymol 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    9.95 (weak base)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    453°C

    Flash point

    • 212.79 ˚C est.

  • Synonyms

    • 2-Methyl-5-(8Z,11Z)-8,11-pentadecadien-1-yl-1,3-benzenediol
    • RefChem:88170
    • 50423-14-8
    • CHEMBL470555
    • SCHEMBL9475529
    • DTXSID401189491
    • 2-methyl-5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol
    • 50423-14-8

  • Applications

    2-Methyl-5-(8Z,11Z)-8,11-pentadecadien-1-yl-1,3-benzenediol (CAS 50423-14-8) is a lipophilic resorcinol derivative commonly evaluated as a fragrance ingredient and odorant. In perfumery and cosmetics, it may serve as a scent component and, owing to its long hydrophobic tail, act as a light fragrance fixative to extend aroma in formulations. It can be used in household products (air fresheners, cleaners) as a fragrance ingredient. In industrial manufacturing, it may serve as an intermediate in organic synthesis or as a specialty chemical for formulation development, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4531.32
    methanol 2571.17
    isopropanol 3384.47
    water 0.03
    ethyl acetate 3288.74
    n-propanol 4034.0
    acetone 5923.15
    n-butanol 2839.5
    acetonitrile 911.3
    DMF 2578.45
    toluene 596.63
    isobutanol 2153.41
    1,4-dioxane 3584.95
    methyl acetate 1861.77
    THF 8011.71
    2-butanone 3737.95
    n-pentanol 1177.41
    sec-butanol 2582.72
    n-hexane 113.47
    ethylene glycol 38.08
    NMP 1124.15
    cyclohexane 401.45
    DMSO 3710.24
    n-butyl acetate 1253.26
    n-octanol 249.43
    chloroform 1949.93
    n-propyl acetate 1393.16
    acetic acid 721.2
    dichloromethane 2473.91
    cyclohexanone 3151.42
    propylene glycol 191.25
    isopropyl acetate 1768.62
    DMAc 1898.09
    2-ethoxyethanol 1427.7
    isopentanol 1720.01
    n-heptane 60.23
    ethyl formate 889.18
    1,2-dichloroethane 2721.15
    n-hexanol 786.29
    2-methoxyethanol 2696.11
    isobutyl acetate 772.0
    tetrachloromethane 383.35
    n-pentyl acetate 871.71
    transcutol 3625.16
    n-heptanol 323.06
    ethylbenzene 213.56
    MIBK 1363.85
    2-propoxyethanol 1329.33
    tert-butanol 2878.94
    MTBE 4473.4
    2-butoxyethanol 759.9
    propionic acid 752.24
    o-xylene 266.07
    formic acid 92.69
    diethyl ether 5695.54
    m-xylene 297.28
    p-xylene 263.0
    chlorobenzene 616.3
    dimethyl carbonate 401.34
    n-octane 27.97
    formamide 292.05
    cyclopentanone 3201.29
    2-pentanone 3650.31
    anisole 563.48
    cyclopentyl methyl ether 2370.11
    gamma-butyrolactone 2201.72
    1-methoxy-2-propanol 2035.92
    pyridine 1796.31
    3-pentanone 1792.48
    furfural 866.47
    n-dodecane 17.8
    diethylene glycol 405.91
    diisopropyl ether 729.74
    tert-amyl alcohol 1999.49
    acetylacetone 1999.88
    n-hexadecane 21.09
    acetophenone 455.97
    methyl propionate 1733.85
    isopentyl acetate 1077.17
    trichloroethylene 2602.36
    n-nonanol 238.2
    cyclohexanol 1475.67
    benzyl alcohol 376.38
    2-ethylhexanol 372.67
    isooctanol 307.98
    dipropyl ether 1045.22
    1,2-dichlorobenzene 423.7
    ethyl lactate 291.69
    propylene carbonate 882.71
    n-methylformamide 1019.89
    2-pentanol 1605.21
    n-pentane 144.22
    1-propoxy-2-propanol 1025.25
    1-methoxy-2-propyl acetate 1036.32
    2-(2-methoxypropoxy) propanol 426.81
    mesitylene 176.28
    ε-caprolactone 2010.04
    p-cymene 115.09
    epichlorohydrin 3636.08
    1,1,1-trichloroethane 1771.07
    2-aminoethanol 333.73
    morpholine-4-carbaldehyde 1270.28
    sulfolane 2160.4
    2,2,4-trimethylpentane 70.33
    2-methyltetrahydrofuran 4982.27
    n-hexyl acetate 796.84
    isooctane 56.24
    2-(2-butoxyethoxy)ethanol 834.29
    sec-butyl acetate 869.27
    tert-butyl acetate 1659.44
    decalin 76.55
    glycerin 173.95
    diglyme 1783.03
    acrylic acid 301.22
    isopropyl myristate 240.92
    n-butyric acid 2045.17
    acetyl acetate 800.71
    di(2-ethylhexyl) phthalate 155.12
    ethyl propionate 1008.73
    nitromethane 1599.84
    1,2-diethoxyethane 1962.6
    benzonitrile 415.14
    trioctyl phosphate 137.27
    1-bromopropane 1962.68
    gamma-valerolactone 3131.28
    n-decanol 160.99
    triethyl phosphate 227.42
    4-methyl-2-pentanol 558.52
    propionitrile 1033.05
    vinylene carbonate 589.52
    1,1,2-trichlorotrifluoroethane 993.26
    DMS 461.54
    cumene 129.45
    2-octanol 235.36
    2-hexanone 1319.21
    octyl acetate 304.53
    limonene 249.79
    1,2-dimethoxyethane 2695.28
    ethyl orthosilicate 260.44
    tributyl phosphate 184.66
    diacetone alcohol 1307.7
    N,N-dimethylaniline 283.67
    acrylonitrile 696.08
    aniline 710.9
    1,3-propanediol 923.14
    bromobenzene 602.28
    dibromomethane 1663.51
    1,1,2,2-tetrachloroethane 2281.05
    2-methyl-cyclohexyl acetate 466.83
    tetrabutyl urea 240.84
    diisobutyl methanol 234.45
    2-phenylethanol 361.01
    styrene 284.51
    dioctyl adipate 323.39
    dimethyl sulfate 519.66
    ethyl butyrate 840.96
    methyl lactate 383.88
    butyl lactate 456.88
    diethyl carbonate 385.9
    propanediol butyl ether 461.83
    triethyl orthoformate 483.03
    p-tert-butyltoluene 120.33
    methyl 4-tert-butylbenzoate 387.56
    morpholine 5856.71
    tert-butylamine 1569.31
    n-dodecanol 116.33
    dimethoxymethane 3143.48
    ethylene carbonate 709.22
    cyrene 343.9
    2-ethoxyethyl acetate 1073.71
    2-ethylhexyl acetate 727.09
    1,2,4-trichlorobenzene 484.96
    4-methylpyridine 1478.86
    dibutyl ether 696.4
    2,6-dimethyl-4-heptanol 234.45
    DEF 1954.63
    dimethyl isosorbide 766.84
    tetrachloroethylene 1292.25
    eugenol 332.59
    triacetin 521.24
    span 80 372.63
    1,4-butanediol 198.98
    1,1-dichloroethane 2526.79
    2-methyl-1-pentanol 833.87
    methyl formate 541.31
    2-methyl-1-butanol 1627.92
    n-decane 36.98
    butyronitrile 1607.45
    3,7-dimethyl-1-octanol 293.44
    1-chlorooctane 207.09
    1-chlorotetradecane 61.51
    n-nonane 35.75
    undecane 23.94
    tert-butylcyclohexane 67.48
    cyclooctane 67.92
    cyclopentanol 1466.81
    tetrahydropyran 7466.56
    tert-amyl methyl ether 1822.97
    2,5,8-trioxanonane 876.96
    1-hexene 569.9
    2-isopropoxyethanol 953.25
    2,2,2-trifluoroethanol 140.77
    methyl butyrate 1406.84

    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