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

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  • Identifiers

    CAS number
    50423-13-7

    Molecular formula
    C22H36O2

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 43.9%
    Spicy 36.69%
    Fatty 30.1%
    Odorless 28.03%
    Oily 27.92%
    Balsamic 26.49%
    Burnt 24.83%
    Phenolic 24.67%
    Animal 21.98%
    Woody 21.8%

     

    Flavor
    Mild 25.29%
    Bland 23.03%
    Faint 23.03%
    Waxy 22.96%
    Slightly waxy 21.38%
    Delicate 21.17%
    Diterpene 20.91%
    Low 20.51%
    Terpentine 20.15%
    Thymol 19.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    9.62 (weak base)

    Molecular weight
    332.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    470°C

    Flash point

    • 204.16 ˚C est.

  • Synonyms

    • 50423-13-7
    • DTXSID901234938
    • 2-Methyl-5-(8Z)-8-pentadecen-1-yl-1,3-benzenediol
    • RefChem:1063754
    • DTXCID901666119
    • 2-Methylcardol monoene
    • 2-Methyl-5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol
    • 2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol
    • 2-methyl-5-[(Z)-pentadec-8-enyl]benzene-1,3-diol
    • 1,3-Benzenediol, 2-methyl-5-(8-pentadecenyl)-, (Z)-
    • 2-Methylcardol
    • 6-Methylcardol monoene
    • ZDR3VQY8VS
    • CHEMBL470556
    • SCHEMBL9472734
    • CHEBI:190337
    • CIS-2-METHYL-5-(8-PENTADECENYL)RESORCINOL
    • 2-Methyl-5-(8-pentadecenyl)-(Z)-1,3-Benzenediol
    • 1,3-Benzenediol, 2-methyl-5-(8Z)-8-pentadecen-1-yl-
    • 50423-13-7

  • Applications

    2-Methyl-5-(8Z)-8-pentadecen-1-yl-1,3-benzenediol (CAS 50423-13-7) is a lipophilic alkylresorcinol with a phenolic head and a long alkenyl tail, used as an odorant/fragrance component in perfumery and cosmetic formulations; it may function as an antioxidant and stabilizer in personal care products and household cleaners; in polymers and coatings it can serve as an antioxidant/stabilizer additive to improve oxidative stability; and it can serve as an intermediate in the synthesis of fragrance-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4360.01
    methanol 2226.77
    isopropanol 3686.89
    water 0.04
    ethyl acetate 3668.3
    n-propanol 4155.69
    acetone 6805.94
    n-butanol 2974.2
    acetonitrile 1008.83
    DMF 3106.49
    toluene 642.9
    isobutanol 2373.6
    1,4-dioxane 3914.2
    methyl acetate 2101.13
    THF 8864.75
    2-butanone 4238.81
    n-pentanol 1212.7
    sec-butanol 2820.47
    n-hexane 184.54
    ethylene glycol 37.42
    NMP 1485.26
    cyclohexane 684.85
    DMSO 3903.54
    n-butyl acetate 1660.76
    n-octanol 325.82
    chloroform 2244.9
    n-propyl acetate 1779.04
    acetic acid 774.64
    dichloromethane 2792.64
    cyclohexanone 3882.57
    propylene glycol 188.87
    isopropyl acetate 2185.52
    DMAc 2251.44
    2-ethoxyethanol 1505.31
    isopentanol 1981.07
    n-heptane 103.94
    ethyl formate 1025.84
    1,2-dichloroethane 3074.56
    n-hexanol 888.43
    2-methoxyethanol 2720.96
    isobutyl acetate 1035.88
    tetrachloromethane 564.01
    n-pentyl acetate 1244.98
    transcutol 3941.89
    n-heptanol 409.47
    ethylbenzene 262.03
    MIBK 1681.17
    2-propoxyethanol 1436.3
    tert-butanol 3421.1
    MTBE 5466.29
    2-butoxyethanol 920.8
    propionic acid 892.3
    o-xylene 325.77
    formic acid 90.65
    diethyl ether 6548.89
    m-xylene 351.23
    p-xylene 348.06
    chlorobenzene 744.65
    dimethyl carbonate 456.56
    n-octane 46.2
    formamide 305.47
    cyclopentanone 4014.87
    2-pentanone 4059.82
    anisole 656.27
    cyclopentyl methyl ether 2828.75
    gamma-butyrolactone 2750.99
    1-methoxy-2-propanol 2169.51
    pyridine 2044.77
    3-pentanone 2091.46
    furfural 1036.1
    n-dodecane 25.59
    diethylene glycol 422.87
    diisopropyl ether 991.96
    tert-amyl alcohol 2360.82
    acetylacetone 2378.59
    n-hexadecane 30.94
    acetophenone 544.58
    methyl propionate 1962.38
    isopentyl acetate 1455.62
    trichloroethylene 2975.04
    n-nonanol 313.19
    cyclohexanol 1721.28
    benzyl alcohol 414.97
    2-ethylhexanol 473.18
    isooctanol 406.0
    dipropyl ether 1442.89
    1,2-dichlorobenzene 543.15
    ethyl lactate 362.59
    propylene carbonate 1133.53
    n-methylformamide 1136.01
    2-pentanol 1837.58
    n-pentane 229.0
    1-propoxy-2-propanol 1249.79
    1-methoxy-2-propyl acetate 1274.05
    2-(2-methoxypropoxy) propanol 509.68
    mesitylene 229.95
    ε-caprolactone 2557.9
    p-cymene 153.89
    epichlorohydrin 4086.86
    1,1,1-trichloroethane 2342.23
    2-aminoethanol 332.77
    morpholine-4-carbaldehyde 1550.34
    sulfolane 2725.25
    2,2,4-trimethylpentane 102.39
    2-methyltetrahydrofuran 5650.55
    n-hexyl acetate 1100.87
    isooctane 81.39
    2-(2-butoxyethoxy)ethanol 970.16
    sec-butyl acetate 1153.97
    tert-butyl acetate 2157.88
    decalin 115.68
    glycerin 176.24
    diglyme 2106.18
    acrylic acid 349.91
    isopropyl myristate 334.84
    n-butyric acid 2368.65
    acetyl acetate 977.35
    di(2-ethylhexyl) phthalate 194.46
    ethyl propionate 1279.34
    nitromethane 1771.61
    1,2-diethoxyethane 2419.66
    benzonitrile 505.45
    trioctyl phosphate 179.44
    1-bromopropane 2344.44
    gamma-valerolactone 3753.21
    n-decanol 207.28
    triethyl phosphate 299.58
    4-methyl-2-pentanol 688.46
    propionitrile 1196.45
    vinylene carbonate 742.0
    1,1,2-trichlorotrifluoroethane 1199.73
    DMS 589.76
    cumene 165.69
    2-octanol 326.0
    2-hexanone 1635.43
    octyl acetate 412.85
    limonene 341.42
    1,2-dimethoxyethane 3101.24
    ethyl orthosilicate 345.17
    tributyl phosphate 245.15
    diacetone alcohol 1594.8
    N,N-dimethylaniline 344.95
    acrylonitrile 782.58
    aniline 771.8
    1,3-propanediol 954.2
    bromobenzene 743.43
    dibromomethane 1909.19
    1,1,2,2-tetrachloroethane 2717.31
    2-methyl-cyclohexyl acetate 612.64
    tetrabutyl urea 318.11
    diisobutyl methanol 311.84
    2-phenylethanol 417.78
    styrene 344.94
    dioctyl adipate 426.1
    dimethyl sulfate 651.55
    ethyl butyrate 1149.28
    methyl lactate 435.7
    butyl lactate 610.57
    diethyl carbonate 509.96
    propanediol butyl ether 556.1
    triethyl orthoformate 662.23
    p-tert-butyltoluene 162.14
    methyl 4-tert-butylbenzoate 501.87
    morpholine 6282.61
    tert-butylamine 2025.39
    n-dodecanol 149.63
    dimethoxymethane 3322.78
    ethylene carbonate 906.63
    cyrene 406.21
    2-ethoxyethyl acetate 1384.98
    2-ethylhexyl acetate 986.01
    1,2,4-trichlorobenzene 614.98
    4-methylpyridine 1698.17
    dibutyl ether 982.29
    2,6-dimethyl-4-heptanol 311.84
    DEF 2364.13
    dimethyl isosorbide 916.58
    tetrachloroethylene 1588.25
    eugenol 396.12
    triacetin 683.53
    span 80 450.58
    1,4-butanediol 211.28
    1,1-dichloroethane 2946.9
    2-methyl-1-pentanol 909.13
    methyl formate 604.35
    2-methyl-1-butanol 1779.75
    n-decane 56.45
    butyronitrile 1842.08
    3,7-dimethyl-1-octanol 389.14
    1-chlorooctane 297.66
    1-chlorotetradecane 85.24
    n-nonane 56.57
    undecane 35.23
    tert-butylcyclohexane 100.18
    cyclooctane 115.88
    cyclopentanol 1800.87
    tetrahydropyran 8276.66
    tert-amyl methyl ether 2225.21
    2,5,8-trioxanonane 1028.08
    1-hexene 763.3
    2-isopropoxyethanol 1087.83
    2,2,2-trifluoroethanol 180.6
    methyl butyrate 1791.41

    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