Dimethoxy di-p-cresol

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  • Identifiers

    CAS number
    13990-86-8

    Molecular formula
    C16H18O4

    SMILES
    CC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)C)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 68.89%
    Spicy 61.04%
    Smoky 50.86%
    Woody 50.04%
    Vanilla 42.75%
    Burnt 41.53%
    Balsamic 36.05%
    Powdery 34.25%
    Medicinal 33.68%
    Sweet 32.63%

     

    Flavor
    Bitter 62.07%
    Phenolic 44.16%
    Smoky 35.05%
    Bacon 32.37%
    Smoke 32.28%
    Medicinal 31.07%
    Spice 30.74%
    Vanilla 28.67%
    Woody 28.09%
    Eugenol 25.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.72 (weak base)

    Molecular weight
    274.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    468°C

    Flash point

    • 181.51 ˚C est.

  • Synonyms

    • Dimethoxy di-p-cresol
    • 13990-86-8
    • 3,3'-dimethoxy-5,5'-dimethyl-[1,1'-biphenyl]-2,2'-diol
    • 3,3'-dimethoxy-5,5'-dimethylbiphenyl-2,2'-diol
    • 2-(2-hydroxy-3-methoxy-5-methylphenyl)-6-methoxy-4-methylphenol
    • 9799E271ZL
    • (1,1'-Biphenyl)-2,2'-diol, 3,3'-dimethoxy-5,5'-dimethyl-
    • [1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-dimethyl-
    • 3,3-dimethoxy-5,5-dimethylbiphenyl-2,2-diol
    • Dehydrodicresol
    • UNII-9799E271ZL
    • SCHEMBL7520392
    • QXKAEQCGFVTAMN-UHFFFAOYSA-
    • DTXSID30161193
    • DDC (DIMETHOXY DI-P-CRESOL)
    • MFCD00155170
    • AKOS024257894
    • AS-70060
    • DB-127108
    • CS-0359658
    • NS00124852
    • A11131
    • A1-01960
    • Q27271993
    • (M,M'-BITOLYL)-6,6'-DIOL, 5,5'-DIMETHOXY-
    • 2,2'-dihydroxy-3,3'-dimethoxy-5,5'-dimethyl-biphenyl
    • 2,2'-Dihydroxy-3,3'-dimethoxy-5,5'-dimethylbiphenyl
    • 3,3'-Dimethoxy-5,5'-dimethyl[1,1'-biphenyl]-2,2'-diol
    • 2-(2-hydroxy-3-methoxy-5-methyl-phenyl)-6-methoxy-4-methyl-phenol
    • 3,3'-DIMETHOXY-5,5'-DIMETHYL-1,1'-BIPHENYL-2,2'-DIOL
    • 2,2'-DIHYDROXY-5,5'-DIMETHYL-3,3'-DIMETHOXY-1,1'-BIPHENYL
    • InChI=1/C16H18O4/c1-9-5-11(15(17)13(7-9)19-3)12-6-10(2)8-14(20-4)16(12)18/h5-8,17-18H,1-4H3
    • 13990-86-8

  • Applications

    Dimethoxy di-p-cresol (CAS 13990-86-8) is commonly used as a fragrance ingredient and aroma chemical in perfumery and cosmetics, providing distinctive notes and serving as a fragrance intermediate; it is also evaluated as an intermediate for the synthesis of substituted phenolic compounds in chemical manufacturing; in polymers and coatings, it functions as a stabilizer/antioxidant to help inhibit radical-driven degradation; in inks and coatings formulations, it may act as a processing additive to improve chemical and color stability; and it can be used as a building block in the preparation of related phenolic derivatives for industrial applications, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.97
    methanol 18.43
    isopropanol 18.4
    water 0.06
    ethyl acetate 80.86
    n-propanol 23.45
    acetone 99.61
    n-butanol 20.14
    acetonitrile 41.17
    DMF 249.35
    toluene 13.99
    isobutanol 16.69
    1,4-dioxane 83.3
    methyl acetate 91.17
    THF 255.0
    2-butanone 83.05
    n-pentanol 19.06
    sec-butanol 21.62
    n-hexane 3.16
    ethylene glycol 11.23
    NMP 183.37
    cyclohexane 4.39
    DMSO 235.03
    n-butyl acetate 57.61
    n-octanol 16.53
    chloroform 167.94
    n-propyl acetate 54.53
    acetic acid 65.25
    dichloromethane 174.26
    cyclohexanone 111.93
    propylene glycol 12.13
    isopropyl acetate 53.7
    DMAc 204.48
    2-ethoxyethanol 64.25
    isopentanol 20.92
    n-heptane 3.64
    ethyl formate 51.2
    1,2-dichloroethane 147.29
    n-hexanol 29.71
    2-methoxyethanol 92.28
    isobutyl acetate 31.28
    tetrachloromethane 24.56
    n-pentyl acetate 45.67
    transcutol 94.43
    n-heptanol 22.9
    ethylbenzene 15.22
    MIBK 43.17
    2-propoxyethanol 76.57
    tert-butanol 39.51
    MTBE 48.54
    2-butoxyethanol 51.16
    propionic acid 45.66
    o-xylene 16.48
    formic acid 26.7
    diethyl ether 53.12
    m-xylene 13.57
    p-xylene 17.49
    chlorobenzene 34.83
    dimethyl carbonate 84.69
    n-octane 2.6
    formamide 69.9
    cyclopentanone 222.86
    2-pentanone 67.85
    anisole 42.7
    cyclopentyl methyl ether 82.86
    gamma-butyrolactone 265.53
    1-methoxy-2-propanol 72.49
    pyridine 78.76
    3-pentanone 65.11
    furfural 164.93
    n-dodecane 1.76
    diethylene glycol 67.41
    diisopropyl ether 18.11
    tert-amyl alcohol 38.95
    acetylacetone 104.56
    n-hexadecane 2.05
    acetophenone 57.87
    methyl propionate 93.53
    isopentyl acetate 55.03
    trichloroethylene 248.48
    n-nonanol 17.21
    cyclohexanol 29.24
    benzyl alcohol 33.4
    2-ethylhexanol 23.63
    isooctanol 20.22
    dipropyl ether 31.63
    1,2-dichlorobenzene 50.51
    ethyl lactate 38.65
    propylene carbonate 106.91
    n-methylformamide 94.18
    2-pentanol 18.41
    n-pentane 2.71
    1-propoxy-2-propanol 53.17
    1-methoxy-2-propyl acetate 84.45
    2-(2-methoxypropoxy) propanol 44.64
    mesitylene 11.03
    ε-caprolactone 103.47
    p-cymene 16.95
    epichlorohydrin 257.74
    1,1,1-trichloroethane 99.39
    2-aminoethanol 18.18
    morpholine-4-carbaldehyde 171.66
    sulfolane 289.93
    2,2,4-trimethylpentane 3.05
    2-methyltetrahydrofuran 111.98
    n-hexyl acetate 48.11
    isooctane 2.01
    2-(2-butoxyethoxy)ethanol 51.19
    sec-butyl acetate 35.79
    tert-butyl acetate 71.71
    decalin 4.34
    glycerin 30.22
    diglyme 121.42
    acrylic acid 55.3
    isopropyl myristate 19.65
    n-butyric acid 51.66
    acetyl acetate 60.82
    di(2-ethylhexyl) phthalate 21.67
    ethyl propionate 54.77
    nitromethane 199.43
    1,2-diethoxyethane 46.11
    benzonitrile 36.22
    trioctyl phosphate 18.23
    1-bromopropane 46.18
    gamma-valerolactone 191.82
    n-decanol 12.92
    triethyl phosphate 38.08
    4-methyl-2-pentanol 15.24
    propionitrile 38.55
    vinylene carbonate 97.31
    1,1,2-trichlorotrifluoroethane 173.34
    DMS 71.75
    cumene 13.15
    2-octanol 16.3
    2-hexanone 44.59
    octyl acetate 26.33
    limonene 23.24
    1,2-dimethoxyethane 121.51
    ethyl orthosilicate 35.04
    tributyl phosphate 21.48
    diacetone alcohol 73.45
    N,N-dimethylaniline 38.29
    acrylonitrile 61.67
    aniline 29.43
    1,3-propanediol 28.7
    bromobenzene 34.19
    dibromomethane 103.59
    1,1,2,2-tetrachloroethane 191.43
    2-methyl-cyclohexyl acetate 48.7
    tetrabutyl urea 29.27
    diisobutyl methanol 16.89
    2-phenylethanol 43.99
    styrene 16.35
    dioctyl adipate 31.83
    dimethyl sulfate 158.29
    ethyl butyrate 47.31
    methyl lactate 57.34
    butyl lactate 34.21
    diethyl carbonate 40.71
    propanediol butyl ether 32.95
    triethyl orthoformate 39.69
    p-tert-butyltoluene 16.93
    methyl 4-tert-butylbenzoate 60.12
    morpholine 111.21
    tert-butylamine 20.74
    n-dodecanol 9.86
    dimethoxymethane 145.68
    ethylene carbonate 79.0
    cyrene 69.6
    2-ethoxyethyl acetate 62.98
    2-ethylhexyl acetate 45.08
    1,2,4-trichlorobenzene 59.31
    4-methylpyridine 57.24
    dibutyl ether 20.63
    2,6-dimethyl-4-heptanol 16.89
    DEF 98.51
    dimethyl isosorbide 104.09
    tetrachloroethylene 137.18
    eugenol 50.73
    triacetin 58.36
    span 80 34.35
    1,4-butanediol 14.1
    1,1-dichloroethane 79.76
    2-methyl-1-pentanol 21.53
    methyl formate 97.48
    2-methyl-1-butanol 20.04
    n-decane 3.27
    butyronitrile 31.08
    3,7-dimethyl-1-octanol 16.64
    1-chlorooctane 14.66
    1-chlorotetradecane 6.09
    n-nonane 2.94
    undecane 2.32
    tert-butylcyclohexane 4.03
    cyclooctane 2.19
    cyclopentanol 41.74
    tetrahydropyran 72.35
    tert-amyl methyl ether 43.39
    2,5,8-trioxanonane 76.07
    1-hexene 11.36
    2-isopropoxyethanol 46.17
    2,2,2-trifluoroethanol 49.61
    methyl butyrate 65.74

    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