5-(10Z,13Z)-10,13-Nonadecadien-1-yl-1,3-benzenediol

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  • Identifiers

    CAS number
    189562-02-5

    Molecular formula
    C25H40O2

    SMILES
    CCCCC/C=C\C/C=C\CCCCCCCCCC1=CC(=CC(=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 53.17%
    Fatty 52.03%
    Oily 42.31%
    Odorless 26.23%
    Balsamic 25.97%
    Spicy 23.59%
    Meaty 23.29%
    Savory 22.07%
    Woody 21.81%
    Burnt 19.56%

     

    Flavor
    Faint 23.15%
    Diterpene 20.02%
    Delicate 20.0%
    Slightly waxy 19.99%
    Low 19.68%
    Oriental 19.53%
    Terpentine 19.26%
    Bland 18.65%
    Opoponax 18.5%
    Bay oil 18.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.6

    pKa est.
    9.16 (weak base)

    Molecular weight
    372.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    478°C

    Flash point

    • 228.79 ˚C est.

  • Synonyms

    • CHEMBL1795552
    • 5-(10Z,13Z)-10,13-Nonadecadien-1-yl-1,3-benzenediol
    • DTXSID001222160
    • 189562-02-5
    • 5-[(10Z,13Z)-Nonadeca-10,13-dien-1-yl]benzene-1,3-diol
    • 189562-02-5

  • Applications

    5-(10Z,13Z)-10,13-Nonadecadien-1-yl-1,3-benzenediol (CAS 189562-02-5) is a phenol-derived compound with a long lipophilic tail, which makes it a candidate for several real-world applications across industries; it may serve as an intermediate in the synthesis of specialty chemicals, may function as a stabilizer/antioxidant for polymers, plastics, and coatings, and may be used in cosmetics and personal care as a fragrance carrier or lipophilic ingredient for skin-care formulations; owing to its amphiphilic structure, it can act as a surfactant or emulsifier and may be considered a fragrance fixative in perfumery and consumer-cleaning, coatings, or inks, depending on formulation. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 971.12
    methanol 594.96
    isopropanol 719.25
    water 0.04
    ethyl acetate 667.07
    n-propanol 762.42
    acetone 1806.51
    n-butanol 642.37
    acetonitrile 185.53
    DMF 979.05
    toluene 178.25
    isobutanol 485.62
    1,4-dioxane 995.92
    methyl acetate 423.1
    THF 3695.58
    2-butanone 997.12
    n-pentanol 340.52
    sec-butanol 540.9
    n-hexane 46.98
    ethylene glycol 19.4
    NMP 898.13
    cyclohexane 179.81
    DMSO 2338.36
    n-butyl acetate 450.62
    n-octanol 130.1
    chloroform 760.67
    n-propyl acetate 490.64
    acetic acid 340.42
    dichloromethane 879.04
    cyclohexanone 1362.61
    propylene glycol 91.42
    isopropyl acetate 514.55
    DMAc 1052.32
    2-ethoxyethanol 523.6
    isopentanol 507.0
    n-heptane 39.24
    ethyl formate 294.57
    1,2-dichloroethane 941.55
    n-hexanol 238.71
    2-methoxyethanol 890.43
    isobutyl acetate 354.17
    tetrachloromethane 191.43
    n-pentyl acetate 420.56
    transcutol 1729.55
    n-heptanol 149.74
    ethylbenzene 88.24
    MIBK 562.12
    2-propoxyethanol 510.3
    tert-butanol 776.0
    MTBE 915.46
    2-butoxyethanol 372.24
    propionic acid 279.65
    o-xylene 108.91
    formic acid 53.54
    diethyl ether 884.46
    m-xylene 113.58
    p-xylene 111.33
    chlorobenzene 240.29
    dimethyl carbonate 160.83
    n-octane 18.44
    formamide 136.3
    cyclopentanone 1642.8
    2-pentanone 976.4
    anisole 238.85
    cyclopentyl methyl ether 931.33
    gamma-butyrolactone 1144.34
    1-methoxy-2-propanol 773.1
    pyridine 579.16
    3-pentanone 522.46
    furfural 507.05
    n-dodecane 11.31
    diethylene glycol 177.73
    diisopropyl ether 191.88
    tert-amyl alcohol 568.16
    acetylacetone 867.12
    n-hexadecane 13.58
    acetophenone 243.04
    methyl propionate 475.18
    isopentyl acetate 451.16
    trichloroethylene 1053.87
    n-nonanol 131.03
    cyclohexanol 521.44
    benzyl alcohol 170.7
    2-ethylhexanol 165.1
    isooctanol 157.36
    dipropyl ether 410.72
    1,2-dichlorobenzene 209.31
    ethyl lactate 168.88
    propylene carbonate 497.33
    n-methylformamide 342.79
    2-pentanol 362.98
    n-pentane 52.3
    1-propoxy-2-propanol 450.03
    1-methoxy-2-propyl acetate 506.68
    2-(2-methoxypropoxy) propanol 276.49
    mesitylene 79.2
    ε-caprolactone 894.26
    p-cymene 66.23
    epichlorohydrin 1490.25
    1,1,1-trichloroethane 736.99
    2-aminoethanol 127.61
    morpholine-4-carbaldehyde 672.03
    sulfolane 1701.82
    2,2,4-trimethylpentane 34.61
    2-methyltetrahydrofuran 1720.21
    n-hexyl acetate 425.94
    isooctane 24.95
    2-(2-butoxyethoxy)ethanol 466.37
    sec-butyl acetate 341.17
    tert-butyl acetate 637.68
    decalin 41.02
    glycerin 100.41
    diglyme 961.55
    acrylic acid 136.46
    isopropyl myristate 150.27
    n-butyric acid 735.66
    acetyl acetate 303.05
    di(2-ethylhexyl) phthalate 101.36
    ethyl propionate 340.28
    nitromethane 674.33
    1,2-diethoxyethane 688.16
    benzonitrile 168.64
    trioctyl phosphate 89.28
    1-bromopropane 596.6
    gamma-valerolactone 1542.87
    n-decanol 85.11
    triethyl phosphate 141.5
    4-methyl-2-pentanol 201.56
    propionitrile 215.08
    vinylene carbonate 308.66
    1,1,2-trichlorotrifluoroethane 643.78
    DMS 222.16
    cumene 63.69
    2-octanol 116.81
    2-hexanone 531.02
    octyl acetate 182.21
    limonene 139.49
    1,2-dimethoxyethane 1013.06
    ethyl orthosilicate 161.57
    tributyl phosphate 116.39
    diacetone alcohol 677.72
    N,N-dimethylaniline 154.35
    acrylonitrile 175.86
    aniline 238.25
    1,3-propanediol 339.11
    bromobenzene 239.75
    dibromomethane 620.81
    1,1,2,2-tetrachloroethane 1031.22
    2-methyl-cyclohexyl acetate 277.04
    tetrabutyl urea 173.16
    diisobutyl methanol 122.55
    2-phenylethanol 160.65
    styrene 109.43
    dioctyl adipate 224.06
    dimethyl sulfate 320.71
    ethyl butyrate 365.27
    methyl lactate 205.48
    butyl lactate 286.99
    diethyl carbonate 179.56
    propanediol butyl ether 286.26
    triethyl orthoformate 277.43
    p-tert-butyltoluene 68.87
    methyl 4-tert-butylbenzoate 272.5
    morpholine 1558.24
    tert-butylamine 424.83
    n-dodecanol 61.28
    dimethoxymethane 949.31
    ethylene carbonate 344.85
    cyrene 245.91
    2-ethoxyethyl acetate 511.46
    2-ethylhexyl acetate 324.3
    1,2,4-trichlorobenzene 261.02
    4-methylpyridine 465.23
    dibutyl ether 336.47
    2,6-dimethyl-4-heptanol 122.55
    DEF 676.37
    dimethyl isosorbide 550.93
    tetrachloroethylene 600.38
    eugenol 211.9
    triacetin 360.67
    span 80 245.74
    1,4-butanediol 81.32
    1,1-dichloroethane 749.24
    2-methyl-1-pentanol 281.18
    methyl formate 213.62
    2-methyl-1-butanol 430.96
    n-decane 24.72
    butyronitrile 380.62
    3,7-dimethyl-1-octanol 155.13
    1-chlorooctane 118.19
    1-chlorotetradecane 37.03
    n-nonane 23.99
    undecane 15.7
    tert-butylcyclohexane 36.87
    cyclooctane 35.66
    cyclopentanol 597.18
    tetrahydropyran 2037.88
    tert-amyl methyl ether 486.01
    2,5,8-trioxanonane 523.64
    1-hexene 164.45
    2-isopropoxyethanol 382.33
    2,2,2-trifluoroethanol 88.48
    methyl butyrate 510.39

    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