5-Heneicosylresorcinol

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  • Identifiers

    CAS number
    70110-59-7

    Molecular formula
    C27H48O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 71.56%
    Fatty 44.3%
    Oily 31.87%
    Odorless 31.5%
    Animal 22.05%
    Balsamic 20.22%
    Burnt 20.19%
    Meaty 20.03%
    Savory 19.38%
    Fishy 17.44%

     

    Flavor
    Waxy 38.47%
    Mild 31.18%
    Bland 31.17%
    Alkane 27.89%
    Slightly waxy 22.74%
    Faint 21.99%
    Odorless 21.41%
    Delicate 21.3%
    Fatty 21.13%
    Bay oil 20.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.3

    pKa est.
    8.93 (weak base)

    Molecular weight
    404.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    570°C

    Melting point expt.

    • 99.5 - 100.5 °C

    Flash point

    • 226.81 ˚C est.

  • Synonyms

    • 5-HENEICOSYLRESORCINOL
    • 5-N-Heneicosylresorcinol
    • RefChem:536057
    • 663-997-7
    • 5-henicosylbenzene-1,3-diol
    • 70110-59-7
    • 5-Heneicosyl-1,3-benzenediol
    • 1,3-Benzenediol, 5-heneicosyl-
    • 5-Heneicosyl-1,3-dihydroxybenzene
    • 5-heneicosylbenzene-1,3-diol
    • orb1683443
    • SCHEMBL2181450
    • CHEMBL1795554
    • DTXSID50220397
    • CHEBI:166655
    • VCA11059
    • LMPK15030005
    • MFCD09743629
    • AKOS030556230
    • DA-49837
    • PD126405
    • 5-Heneicosylresorcinol, analytical standard
    • HY-113430
    • NS00077048
    • G78901
    • 70110-59-7

  • Applications

    5-Heneicosylresorcinol, CAS 70110-59-7, is a resorcinol derivative bearing a long henicosyl (C21) alkyl chain at position 5, with two phenolic OH groups on the aromatic ring. It is considered a lipophilic phenolic compound with antioxidant activity and potential as a stabilizer in polymer, rubber, and coatings formulations. Practical applications may include: in cosmetics/personal care as a bioactive ingredient in skin and hair formulations, providing antioxidant activity and improving product stability; in polymers/plastics as an antioxidant or stabilizer to enhance oxidative and thermal stability of plastics and rubbers; in coatings/inks as a stabilizing additive for paints and inks to improve oxidation resistance and durability; in agriculture/plant protection as a compound studied for antimicrobial properties with potential use in crop protection formulations or seed treatments; in fragrance/perfumery as a candidate for fragrance formulations or as a fixative in certain scent formulations; all uses subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.86
    methanol 54.21
    isopropanol 70.79
    water 0.12
    ethyl acetate 200.25
    n-propanol 81.1
    acetone 295.62
    n-butanol 87.83
    acetonitrile 48.67
    DMF 338.89
    toluene 67.58
    isobutanol 76.03
    1,4-dioxane 276.25
    methyl acetate 146.38
    THF 1207.17
    2-butanone 253.94
    n-pentanol 56.89
    sec-butanol 78.45
    n-hexane 25.51
    ethylene glycol 5.15
    NMP 679.73
    cyclohexane 120.53
    DMSO 635.84
    n-butyl acetate 241.09
    n-octanol 67.49
    chloroform 542.96
    n-propyl acetate 246.77
    acetic acid 98.64
    dichloromethane 573.21
    cyclohexanone 665.6
    propylene glycol 18.4
    isopropyl acetate 216.07
    DMAc 538.11
    2-ethoxyethanol 122.96
    isopentanol 97.01
    n-heptane 32.8
    ethyl formate 115.72
    1,2-dichloroethane 457.92
    n-hexanol 54.21
    2-methoxyethanol 160.38
    isobutyl acetate 187.72
    tetrachloromethane 185.78
    n-pentyl acetate 348.88
    transcutol 527.28
    n-heptanol 70.03
    ethylbenzene 47.8
    MIBK 223.96
    2-propoxyethanol 140.43
    tert-butanol 142.59
    MTBE 207.6
    2-butoxyethanol 176.72
    propionic acid 102.8
    o-xylene 59.34
    formic acid 18.85
    diethyl ether 151.46
    m-xylene 53.1
    p-xylene 73.8
    chlorobenzene 138.88
    dimethyl carbonate 81.13
    n-octane 17.57
    formamide 47.81
    cyclopentanone 836.94
    2-pentanone 259.95
    anisole 113.09
    cyclopentyl methyl ether 375.63
    gamma-butyrolactone 695.63
    1-methoxy-2-propanol 171.71
    pyridine 235.28
    3-pentanone 211.56
    furfural 327.13
    n-dodecane 8.32
    diethylene glycol 48.41
    diisopropyl ether 85.46
    tert-amyl alcohol 133.35
    acetylacetone 351.31
    n-hexadecane 10.21
    acetophenone 161.93
    methyl propionate 173.65
    isopentyl acetate 257.88
    trichloroethylene 619.37
    n-nonanol 70.95
    cyclohexanol 162.01
    benzyl alcohol 66.81
    2-ethylhexanol 67.84
    isooctanol 83.39
    dipropyl ether 207.98
    1,2-dichlorobenzene 163.18
    ethyl lactate 98.03
    propylene carbonate 360.23
    n-methylformamide 101.46
    2-pentanol 70.5
    n-pentane 20.94
    1-propoxy-2-propanol 173.61
    1-methoxy-2-propyl acetate 264.54
    2-(2-methoxypropoxy) propanol 142.82
    mesitylene 47.36
    ε-caprolactone 529.29
    p-cymene 52.01
    epichlorohydrin 638.22
    1,1,1-trichloroethane 526.83
    2-aminoethanol 22.75
    morpholine-4-carbaldehyde 372.52
    sulfolane 1249.22
    2,2,4-trimethylpentane 21.15
    2-methyltetrahydrofuran 557.74
    n-hexyl acetate 279.31
    isooctane 13.46
    2-(2-butoxyethoxy)ethanol 197.33
    sec-butyl acetate 191.71
    tert-butyl acetate 342.92
    decalin 31.5
    glycerin 29.72
    diglyme 487.78
    acrylic acid 63.51
    isopropyl myristate 104.65
    n-butyric acid 229.71
    acetyl acetate 150.53
    di(2-ethylhexyl) phthalate 73.32
    ethyl propionate 199.79
    nitromethane 235.0
    1,2-diethoxyethane 285.78
    benzonitrile 90.56
    trioctyl phosphate 64.84
    1-bromopropane 234.37
    gamma-valerolactone 829.1
    n-decanol 45.87
    triethyl phosphate 135.96
    4-methyl-2-pentanol 59.21
    propionitrile 65.12
    vinylene carbonate 241.52
    1,1,2-trichlorotrifluoroethane 368.59
    DMS 151.36
    cumene 40.76
    2-octanol 68.2
    2-hexanone 214.11
    octyl acetate 126.08
    limonene 101.13
    1,2-dimethoxyethane 345.97
    ethyl orthosilicate 137.26
    tributyl phosphate 86.22
    diacetone alcohol 296.78
    N,N-dimethylaniline 89.63
    acrylonitrile 60.92
    aniline 81.34
    1,3-propanediol 57.91
    bromobenzene 156.73
    dibromomethane 365.22
    1,1,2,2-tetrachloroethane 661.04
    2-methyl-cyclohexyl acetate 211.28
    tetrabutyl urea 131.28
    diisobutyl methanol 68.1
    2-phenylethanol 66.56
    styrene 56.16
    dioctyl adipate 170.25
    dimethyl sulfate 221.54
    ethyl butyrate 245.33
    methyl lactate 84.64
    butyl lactate 206.0
    diethyl carbonate 137.25
    propanediol butyl ether 122.01
    triethyl orthoformate 216.53
    p-tert-butyltoluene 53.96
    methyl 4-tert-butylbenzoate 219.75
    morpholine 389.63
    tert-butylamine 90.65
    n-dodecanol 32.64
    dimethoxymethane 237.63
    ethylene carbonate 248.7
    cyrene 166.48
    2-ethoxyethyl acetate 330.44
    2-ethylhexyl acetate 213.88
    1,2,4-trichlorobenzene 197.17
    4-methylpyridine 201.22
    dibutyl ether 190.59
    2,6-dimethyl-4-heptanol 68.1
    DEF 282.88
    dimethyl isosorbide 377.32
    tetrachloroethylene 404.68
    eugenol 147.99
    triacetin 281.54
    span 80 141.43
    1,4-butanediol 19.66
    1,1-dichloroethane 346.17
    2-methyl-1-pentanol 65.82
    methyl formate 82.92
    2-methyl-1-butanol 84.62
    n-decane 19.89
    butyronitrile 93.14
    3,7-dimethyl-1-octanol 77.12
    1-chlorooctane 85.15
    1-chlorotetradecane 26.17
    n-nonane 19.92
    undecane 11.88
    tert-butylcyclohexane 26.72
    cyclooctane 30.22
    cyclopentanol 200.86
    tetrahydropyran 501.16
    tert-amyl methyl ether 179.2
    2,5,8-trioxanonane 258.01
    1-hexene 56.23
    2-isopropoxyethanol 113.49
    2,2,2-trifluoroethanol 58.32
    methyl butyrate 289.86

    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