3-Pentadecylcatechol

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  • Identifiers

    CAS number
    492-89-7

    Molecular formula
    C21H36O2

    SMILES
    CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 48.47%
    Odorless 33.14%
    Spicy 30.3%
    Burnt 28.2%
    Phenolic 27.06%
    Fatty 23.48%
    Balsamic 22.71%
    Animal 22.61%
    Smoky 21.65%
    Oily 20.59%

     

    Flavor
    Mild 32.07%
    Waxy 30.17%
    Bland 27.99%
    Slightly waxy 22.71%
    Delicate 21.68%
    Fatty 21.19%
    Bay oil 21.06%
    Creosote 20.91%
    Thymol 20.89%
    Faint 20.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    9.54 (weak base)

    Molecular weight
    320.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    448°C

    Flash point

    • 195.95 ˚C est.

  • Synonyms

    • 3-Pentadecylcatechol
    • Dihydrorhengol
    • Tetrahydrourushiol
    • 3-n-Pentadecylcatechol
    • 492-89-7
    • Hydroureshiol
    • Hydrourushiol
    • 3-pentadecylbenzene-1,2-diol
    • urushiol i
    • 3-Pentadecylpyrocatechol
    • 3-Pentadecacatechol
    • 3-n-Pentadecylpyrocatechol
    • 3-PDC
    • Pyrocatechol, 3-pentadecyl-
    • CHEBI:59111
    • 1,2-Benzenediol, 3-pentadecyl-
    • 51M8X101ML
    • NSC-403211
    • DTXSID70197714
    • RefChem:911594
    • DTXCID30120205
    • pentadecylcatechol
    • CHEMBL8087
    • USAF uctl-1803
    • 3-Pentadecyl-1,2-benzenediol
    • NSC 403211
    • BRN 1885390
    • (15:0)-URUSHIOL
    • UNII-51M8X101ML
    • urushiol C15:0
    • 1, 3-pentadecyl-
    • 3-(pentadecyl)-catechol
    • URUSHIOL I [MI]
    • Epitope ID:122677
    • Urushiol I (C15:0)
    • WLN: QR BQ C15
    • 4-06-00-06109 (Beilstein Handbook Reference)
    • SCHEMBL554986
    • orb1991904
    • 3-Pentadecyl-benzene-1,2-diol
    • 3-PENTADECYLCATECHOL [MI]
    • URUSHIOL, (15:0)-
    • AAA49289
    • (15:0)-URUSHIOL [MI]
    • BDBM50469662
    • LMPK15020001
    • NSC403211
    • AKOS040734849
    • NS00094776
    • NCGC00386000-01!3-pentadecylbenzene-1,2-diol
    • Q27104847
    • 6F8
    • 492-89-7

  • Applications

    3-Pentadecylcatechol (CAS 492-89-7) is a lipophilic catechol derivative that is typically used as a fragrance-related material and a chemical building block in specialty formulations. In perfumery and cosmetics, it may function as an odorant and fixative with a long-lasting profile. In industrial manufacturing, polymers and coatings, it can be employed as an antioxidant or stabilizer to improve oxidative stability of formulations and polymer matrices. In coatings, inks, and adhesives, it serves as a surface modifier or processing additive, and as a precursor for catechol-containing adhesion moieties used in specialty adhesive systems. It may also act as an intermediate for the synthesis of catechol-based monomers and polymers. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1900.42
    methanol 1381.56
    isopropanol 1563.4
    water 0.12
    ethyl acetate 2816.86
    n-propanol 1763.51
    acetone 4470.08
    n-butanol 1383.28
    acetonitrile 967.0
    DMF 2948.19
    toluene 420.14
    isobutanol 1098.36
    1,4-dioxane 2124.42
    methyl acetate 1866.59
    THF 5462.29
    2-butanone 2857.94
    n-pentanol 585.26
    sec-butanol 1181.28
    n-hexane 139.22
    ethylene glycol 36.74
    NMP 1986.61
    cyclohexane 565.06
    DMSO 3410.71
    n-butyl acetate 2060.37
    n-octanol 353.85
    chloroform 2079.65
    n-propyl acetate 1944.39
    acetic acid 700.31
    dichloromethane 2724.28
    cyclohexanone 3893.46
    propylene glycol 127.38
    isopropyl acetate 2009.42
    DMAc 2353.16
    2-ethoxyethanol 1104.45
    isopentanol 1062.42
    n-heptane 143.72
    ethyl formate 1086.77
    1,2-dichloroethane 2868.64
    n-hexanol 526.43
    2-methoxyethanol 1726.12
    isobutyl acetate 1129.51
    tetrachloromethane 682.57
    n-pentyl acetate 1832.98
    transcutol 3105.27
    n-heptanol 436.75
    ethylbenzene 229.38
    MIBK 1483.87
    2-propoxyethanol 1075.67
    tert-butanol 1826.22
    MTBE 2814.03
    2-butoxyethanol 997.29
    propionic acid 873.9
    o-xylene 288.76
    formic acid 106.03
    diethyl ether 3029.3
    m-xylene 282.83
    p-xylene 341.07
    chlorobenzene 758.25
    dimethyl carbonate 529.22
    n-octane 70.62
    formamide 441.24
    cyclopentanone 4178.01
    2-pentanone 2815.14
    anisole 651.75
    cyclopentyl methyl ether 2137.47
    gamma-butyrolactone 3420.3
    1-methoxy-2-propanol 1434.27
    pyridine 1769.52
    3-pentanone 1785.43
    furfural 1450.04
    n-dodecane 34.69
    diethylene glycol 363.11
    diisopropyl ether 764.48
    tert-amyl alcohol 1329.95
    acetylacetone 2433.7
    n-hexadecane 41.64
    acetophenone 677.9
    methyl propionate 1767.75
    isopentyl acetate 1764.23
    trichloroethylene 3284.26
    n-nonanol 332.24
    cyclohexanol 1073.31
    benzyl alcohol 376.92
    2-ethylhexanol 437.02
    isooctanol 437.35
    dipropyl ether 1379.65
    1,2-dichlorobenzene 733.62
    ethyl lactate 444.32
    propylene carbonate 1588.79
    n-methylformamide 1185.8
    2-pentanol 891.63
    n-pentane 157.87
    1-propoxy-2-propanol 1117.48
    1-methoxy-2-propyl acetate 1431.52
    2-(2-methoxypropoxy) propanol 465.61
    mesitylene 218.88
    ε-caprolactone 2756.09
    p-cymene 197.25
    epichlorohydrin 3594.7
    1,1,1-trichloroethane 2444.76
    2-aminoethanol 234.34
    morpholine-4-carbaldehyde 1660.66
    sulfolane 3476.5
    2,2,4-trimethylpentane 95.93
    2-methyltetrahydrofuran 3364.28
    n-hexyl acetate 1365.15
    isooctane 72.04
    2-(2-butoxyethoxy)ethanol 845.71
    sec-butyl acetate 1275.15
    tert-butyl acetate 2211.43
    decalin 112.66
    glycerin 143.93
    diglyme 2227.41
    acrylic acid 411.78
    isopropyl myristate 381.86
    n-butyric acid 1985.04
    acetyl acetate 1124.32
    di(2-ethylhexyl) phthalate 210.37
    ethyl propionate 1479.46
    nitromethane 2191.17
    1,2-diethoxyethane 2158.89
    benzonitrile 592.14
    trioctyl phosphate 214.34
    1-bromopropane 1719.5
    gamma-valerolactone 3995.23
    n-decanol 211.22
    triethyl phosphate 420.43
    4-methyl-2-pentanol 451.16
    propionitrile 1071.23
    vinylene carbonate 1106.91
    1,1,2-trichlorotrifluoroethane 1335.56
    DMS 742.48
    cumene 167.06
    2-octanol 366.33
    2-hexanone 1395.72
    octyl acetate 484.84
    limonene 399.76
    1,2-dimethoxyethane 2412.77
    ethyl orthosilicate 456.24
    tributyl phosphate 300.97
    diacetone alcohol 1504.1
    N,N-dimethylaniline 355.2
    acrylonitrile 848.82
    aniline 546.49
    1,3-propanediol 686.46
    bromobenzene 791.08
    dibromomethane 1733.38
    1,1,2,2-tetrachloroethane 2894.03
    2-methyl-cyclohexyl acetate 756.75
    tetrabutyl urea 409.03
    diisobutyl methanol 335.57
    2-phenylethanol 378.28
    styrene 313.94
    dioctyl adipate 499.95
    dimethyl sulfate 862.04
    ethyl butyrate 1506.69
    methyl lactate 440.59
    butyl lactate 845.38
    diethyl carbonate 731.07
    propanediol butyl ether 532.53
    triethyl orthoformate 883.44
    p-tert-butyltoluene 201.77
    methyl 4-tert-butylbenzoate 646.73
    morpholine 3246.7
    tert-butylamine 1072.04
    n-dodecanol 149.74
    dimethoxymethane 2281.71
    ethylene carbonate 1307.99
    cyrene 434.1
    2-ethoxyethyl acetate 1773.79
    2-ethylhexyl acetate 1254.85
    1,2,4-trichlorobenzene 798.73
    4-methylpyridine 1430.24
    dibutyl ether 1014.05
    2,6-dimethyl-4-heptanol 335.57
    DEF 2364.8
    dimethyl isosorbide 985.28
    tetrachloroethylene 1803.71
    eugenol 453.91
    triacetin 924.1
    span 80 423.87
    1,4-butanediol 173.0
    1,1-dichloroethane 2381.59
    2-methyl-1-pentanol 531.99
    methyl formate 699.59
    2-methyl-1-butanol 908.06
    n-decane 79.5
    butyronitrile 1371.04
    3,7-dimethyl-1-octanol 390.12
    1-chlorooctane 379.84
    1-chlorotetradecane 106.7
    n-nonane 79.94
    undecane 47.92
    tert-butylcyclohexane 101.31
    cyclooctane 122.0
    cyclopentanol 1207.86
    tetrahydropyran 4169.93
    tert-amyl methyl ether 1440.01
    2,5,8-trioxanonane 943.88
    1-hexene 451.08
    2-isopropoxyethanol 818.44
    2,2,2-trifluoroethanol 277.22
    methyl butyrate 2062.56

    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