4-Heptylresorcinol

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  • Identifiers

    CAS number
    18979-65-2

    Molecular formula
    C13H20O2

    SMILES
    CCCCCCCC1=C(C=C(C=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 61.81%
    Spicy 49.64%
    Smoky 38.36%
    Burnt 32.89%
    Animal 31.49%
    Medicinal 29.6%
    Balsamic 27.6%
    Leathery 26.08%
    Odorless 25.77%
    Woody 22.6%

     

    Flavor
    Phenolic 39.95%
    Mild 31.31%
    Medicinal 30.16%
    Woody 29.29%
    Spice 27.07%
    Herbal 25.43%
    Spicy 24.95%
    Creosote 23.94%
    Thymol 23.57%
    Musty 23.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.68 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 162.88 ˚C est.

  • Synonyms

    • 4-heptylresorcinol
    • Heptylresorcinol
    • Di-hydranol
    • 18979-65-2
    • 1,3-Benzenediol, 4-heptyl-
    • Resorcinol, 4-heptyl-
    • 2,4-Dihydroxyphenyl-n-heptane
    • BRN 3263444
    • UNII-4340A7X1C2
    • AI3-08057
    • 4340A7X1C2
    • 3-HYDROXY-4-HEPTYLPHENOL
    • 3-06-00-04728 (Beilstein Handbook Reference)
    • RefChem:99088
    • 4-heptylbenzene-1,3-diol
    • 4-Heptyl-benzene-1,3-diol
    • SCHEMBL69887
    • SCHEMBL30911960
    • DTXSID60940498
    • DA-43405
    • A1-38814
    • Q27258608
    • 18979-65-2

  • Applications

    4-Heptylresorcinol (CAS 18979-65-2) is a substituted resorcinol bearing a seven-carbon alkyl chain at the 4-position; it is typically used as an intermediate in organic synthesis and may be evaluated for niche applications. Potential use areas include: as an intermediate in chemical synthesis; as a fragrance ingredient or odorant precursor in perfumery; in cosmetics/personal care it may be used as a fragrance fixative or fragrance ingredient; in polymers/plastics it may serve as an antioxidant or stabilizer; and as an additive in coatings/inks or surface-treatment systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17012.06
    methanol 12288.74
    isopropanol 11417.61
    water 0.02
    ethyl acetate 9893.57
    n-propanol 13314.87
    acetone 17194.57
    n-butanol 7854.21
    acetonitrile 6786.47
    DMF 8015.2
    toluene 707.99
    isobutanol 7009.31
    1,4-dioxane 6445.82
    methyl acetate 6375.24
    THF 12693.3
    2-butanone 10059.62
    n-pentanol 3550.8
    sec-butanol 6446.41
    n-hexane 205.17
    ethylene glycol 463.45
    NMP 1955.35
    cyclohexane 187.55
    DMSO 12078.4
    n-butyl acetate 3111.94
    n-octanol 410.52
    chloroform 2277.16
    n-propyl acetate 3083.98
    acetic acid 1920.64
    dichloromethane 2718.55
    cyclohexanone 5030.57
    propylene glycol 1461.8
    isopropyl acetate 4125.82
    DMAc 2975.18
    2-ethoxyethanol 4134.73
    isopentanol 4556.9
    n-heptane 61.93
    ethyl formate 1990.83
    1,2-dichloroethane 3736.93
    n-hexanol 2876.82
    2-methoxyethanol 9397.12
    isobutyl acetate 1405.14
    tetrachloromethane 249.41
    n-pentyl acetate 854.37
    transcutol 7456.6
    n-heptanol 572.55
    ethylbenzene 261.91
    MIBK 2769.79
    2-propoxyethanol 4616.81
    tert-butanol 9732.18
    MTBE 10431.69
    2-butoxyethanol 1250.07
    propionic acid 2728.28
    o-xylene 265.44
    formic acid 304.46
    diethyl ether 11561.45
    m-xylene 455.55
    p-xylene 297.86
    chlorobenzene 711.84
    dimethyl carbonate 930.41
    n-octane 24.0
    formamide 1244.07
    cyclopentanone 6813.41
    2-pentanone 8403.78
    anisole 925.03
    cyclopentyl methyl ether 4402.49
    gamma-butyrolactone 5285.57
    1-methoxy-2-propanol 6913.58
    pyridine 2838.19
    3-pentanone 3932.18
    furfural 1590.01
    n-dodecane 20.49
    diethylene glycol 1798.24
    diisopropyl ether 1706.62
    tert-amyl alcohol 4996.71
    acetylacetone 4293.41
    n-hexadecane 24.69
    acetophenone 604.86
    methyl propionate 5348.31
    isopentyl acetate 2184.84
    trichloroethylene 3646.18
    n-nonanol 353.49
    cyclohexanol 2701.37
    benzyl alcohol 658.44
    2-ethylhexanol 856.34
    isooctanol 426.39
    dipropyl ether 2140.65
    1,2-dichlorobenzene 432.4
    ethyl lactate 550.6
    propylene carbonate 1627.18
    n-methylformamide 4847.84
    2-pentanol 4512.82
    n-pentane 168.9
    1-propoxy-2-propanol 2760.98
    1-methoxy-2-propyl acetate 2270.44
    2-(2-methoxypropoxy) propanol 740.49
    mesitylene 241.38
    ε-caprolactone 3062.28
    p-cymene 135.0
    epichlorohydrin 7263.75
    1,1,1-trichloroethane 2056.92
    2-aminoethanol 2633.94
    morpholine-4-carbaldehyde 2448.59
    sulfolane 4057.84
    2,2,4-trimethylpentane 81.15
    2-methyltetrahydrofuran 8572.24
    n-hexyl acetate 1103.52
    isooctane 94.51
    2-(2-butoxyethoxy)ethanol 1435.01
    sec-butyl acetate 1620.69
    tert-butyl acetate 3315.65
    decalin 74.41
    glycerin 921.69
    diglyme 2798.01
    acrylic acid 996.49
    isopropyl myristate 309.0
    n-butyric acid 4619.31
    acetyl acetate 1555.18
    di(2-ethylhexyl) phthalate 195.89
    ethyl propionate 2197.0
    nitromethane 5120.84
    1,2-diethoxyethane 3630.07
    benzonitrile 794.48
    trioctyl phosphate 183.15
    1-bromopropane 2455.19
    gamma-valerolactone 5650.7
    n-decanol 252.39
    triethyl phosphate 267.49
    4-methyl-2-pentanol 1343.6
    propionitrile 5130.9
    vinylene carbonate 985.99
    1,1,2-trichlorotrifluoroethane 1810.48
    DMS 693.22
    cumene 161.29
    2-octanol 326.97
    2-hexanone 3380.39
    octyl acetate 393.52
    limonene 290.8
    1,2-dimethoxyethane 6180.25
    ethyl orthosilicate 290.82
    tributyl phosphate 243.06
    diacetone alcohol 2921.8
    N,N-dimethylaniline 367.24
    acrylonitrile 3610.75
    aniline 1269.16
    1,3-propanediol 3856.02
    bromobenzene 645.85
    dibromomethane 1817.87
    1,1,2,2-tetrachloroethane 2882.32
    2-methyl-cyclohexyl acetate 566.27
    tetrabutyl urea 283.75
    diisobutyl methanol 419.44
    2-phenylethanol 698.89
    styrene 377.48
    dioctyl adipate 387.72
    dimethyl sulfate 963.03
    ethyl butyrate 1397.64
    methyl lactate 1036.96
    butyl lactate 554.56
    diethyl carbonate 585.23
    propanediol butyl ether 878.62
    triethyl orthoformate 635.67
    p-tert-butyltoluene 153.07
    methyl 4-tert-butylbenzoate 397.35
    morpholine 11363.87
    tert-butylamine 4761.26
    n-dodecanol 183.07
    dimethoxymethane 7714.7
    ethylene carbonate 1151.54
    cyrene 456.4
    2-ethoxyethyl acetate 1317.28
    2-ethylhexyl acetate 1305.75
    1,2,4-trichlorobenzene 510.29
    4-methylpyridine 2667.62
    dibutyl ether 1121.39
    2,6-dimethyl-4-heptanol 419.44
    DEF 4597.56
    dimethyl isosorbide 1046.7
    tetrachloroethylene 1454.55
    eugenol 392.69
    triacetin 597.28
    span 80 564.27
    1,4-butanediol 854.7
    1,1-dichloroethane 4074.81
    2-methyl-1-pentanol 1905.49
    methyl formate 1998.54
    2-methyl-1-butanol 4023.26
    n-decane 37.49
    butyronitrile 5080.96
    3,7-dimethyl-1-octanol 488.06
    1-chlorooctane 255.11
    1-chlorotetradecane 79.12
    n-nonane 36.87
    undecane 27.05
    tert-butylcyclohexane 86.14
    cyclooctane 49.25
    cyclopentanol 3317.92
    tetrahydropyran 10303.8
    tert-amyl methyl ether 3719.48
    2,5,8-trioxanonane 1310.86
    1-hexene 1499.44
    2-isopropoxyethanol 2362.58
    2,2,2-trifluoroethanol 287.19
    methyl butyrate 2970.67

    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