3,4-Dimethoxyphenol

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  • Identifiers

    CAS number
    2033-89-8

    Molecular formula
    C8H10O3

    SMILES
    COC1=C(C=C(C=C1)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 80.2%
    Sweet 77.26%
    Vanilla 72.75%
    Smoky 63.1%
    Spicy 61.81%
    Woody 57.72%
    Medicinal 49.86%
    Balsamic 45.78%
    Clove 43.08%
    Powdery 42.91%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.32 (weak base)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point est.
    107.53 ˚C

  • Synonyms

    • 3,4-DIMETHOXYPHENOL
    • 2033-89-8
    • Phenol, 3,4-dimethoxy-
    • 3,4-Bis(methyloxy)phenol
    • UNII-38B43WCU83
    • 38B43WCU83
    • EINECS 217-995-4
    • MFCD00008390
    • NSC 140927
    • NSC-140927
    • DTXSID7062112
    • NSC140927
    • 3,4,dimethoxyphenol
    • Phenol,4-dimethoxy-
    • 3,4-dimethoxy phenol
    • 3,4-dimethoxy-phenol
    • 3, 4-dimethoxy phenol
    • 3 pound not4-dimethoxyphenol
    • 3,4-Dimethoxyphenol, 97%
    • SCHEMBL119396
    • 1-hydroxy-3,4-dimethoxybenzene
    • DTXCID5036262
    • CS-B1823
    • HY-N1780
    • STR06225
    • AKOS005146109
    • AC-3793
    • FD22207
    • PD158071
    • SY017636
    • TS-02054
    • DB-031011
    • D3221
    • NS00026588
    • EN300-91592
    • AE-508/42302277
    • Q27256773
    • Z1255434752
    • 217-995-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.75
    methanol 329.28
    isopropanol 185.97
    water 4.5
    ethyl acetate 228.65
    n-propanol 195.47
    acetone 474.5
    n-butanol 138.68
    acetonitrile 425.67
    DMF 749.86
    toluene 60.29
    isobutanol 134.52
    1,4-dioxane 685.48
    methyl acetate 365.55
    THF 730.23
    2-butanone 280.24
    n-pentanol 104.58
    sec-butanol 145.22
    n-hexane 14.74
    ethylene glycol 385.55
    NMP 412.43
    cyclohexane 40.18
    DMSO 1178.71
    n-butyl acetate 115.38
    n-octanol 81.74
    chloroform 557.44
    n-propyl acetate 161.46
    acetic acid 352.84
    dichloromethane 775.01
    cyclohexanone 341.73
    propylene glycol 195.28
    isopropyl acetate 110.02
    DMAc 441.27
    2-ethoxyethanol 334.92
    isopentanol 95.46
    n-heptane 29.13
    ethyl formate 315.24
    1,2-dichloroethane 500.09
    n-hexanol 115.12
    2-methoxyethanol 587.73
    isobutyl acetate 89.07
    tetrachloromethane 131.24
    n-pentyl acetate 86.53
    transcutol 255.46
    n-heptanol 71.41
    ethylbenzene 54.54
    MIBK 99.85
    2-propoxyethanol 248.43
    tert-butanol 276.15
    MTBE 157.98
    2-butoxyethanol 132.08
    propionic acid 271.78
    o-xylene 70.3
    formic acid 170.55
    diethyl ether 171.28
    m-xylene 58.16
    p-xylene 81.09
    chlorobenzene 135.9
    dimethyl carbonate 173.19
    n-octane 15.61
    formamide 348.92
    cyclopentanone 503.85
    2-pentanone 173.39
    anisole 161.11
    cyclopentyl methyl ether 206.21
    gamma-butyrolactone 700.26
    1-methoxy-2-propanol 301.32
    pyridine 251.22
    3-pentanone 158.53
    furfural 464.58
    n-dodecane 14.83
    diethylene glycol 319.12
    diisopropyl ether 49.93
    tert-amyl alcohol 184.25
    acetylacetone 259.01
    n-hexadecane 16.56
    acetophenone 153.27
    methyl propionate 237.68
    isopentyl acetate 91.52
    trichloroethylene 642.02
    n-nonanol 70.8
    cyclohexanol 161.9
    benzyl alcohol 129.06
    2-ethylhexanol 80.58
    isooctanol 59.6
    dipropyl ether 116.36
    1,2-dichlorobenzene 151.12
    ethyl lactate 122.61
    propylene carbonate 317.23
    n-methylformamide 464.63
    2-pentanol 85.97
    n-pentane 17.21
    1-propoxy-2-propanol 146.87
    1-methoxy-2-propyl acetate 139.31
    2-(2-methoxypropoxy) propanol 118.28
    mesitylene 46.87
    ε-caprolactone 285.67
    p-cymene 52.35
    epichlorohydrin 674.04
    1,1,1-trichloroethane 369.13
    2-aminoethanol 277.19
    morpholine-4-carbaldehyde 514.03
    sulfolane 801.68
    2,2,4-trimethylpentane 14.42
    2-methyltetrahydrofuran 355.95
    n-hexyl acetate 119.49
    isooctane 11.76
    2-(2-butoxyethoxy)ethanol 147.85
    sec-butyl acetate 83.74
    tert-butyl acetate 130.13
    decalin 24.14
    glycerin 295.68
    diglyme 343.36
    acrylic acid 268.88
    isopropyl myristate 63.88
    n-butyric acid 223.53
    acetyl acetate 170.52
    di(2-ethylhexyl) phthalate 58.65
    ethyl propionate 137.96
    nitromethane 754.99
    1,2-diethoxyethane 127.84
    benzonitrile 161.02
    trioctyl phosphate 52.08
    1-bromopropane 174.38
    gamma-valerolactone 517.2
    n-decanol 59.31
    triethyl phosphate 86.84
    4-methyl-2-pentanol 51.81
    propionitrile 246.2
    vinylene carbonate 299.1
    1,1,2-trichlorotrifluoroethane 446.87
    DMS 138.66
    cumene 47.51
    2-octanol 55.29
    2-hexanone 137.19
    octyl acetate 81.42
    limonene 76.34
    1,2-dimethoxyethane 544.93
    ethyl orthosilicate 74.88
    tributyl phosphate 58.17
    diacetone alcohol 175.24
    N,N-dimethylaniline 107.1
    acrylonitrile 339.64
    aniline 115.55
    1,3-propanediol 283.62
    bromobenzene 137.05
    dibromomethane 448.91
    1,1,2,2-tetrachloroethane 496.8
    2-methyl-cyclohexyl acetate 99.65
    tetrabutyl urea 79.8
    diisobutyl methanol 58.77
    2-phenylethanol 114.78
    styrene 66.83
    dioctyl adipate 95.35
    dimethyl sulfate 298.49
    ethyl butyrate 124.44
    methyl lactate 178.1
    butyl lactate 75.99
    diethyl carbonate 110.44
    propanediol butyl ether 114.84
    triethyl orthoformate 90.66
    p-tert-butyltoluene 52.68
    methyl 4-tert-butylbenzoate 129.09
    morpholine 574.45
    tert-butylamine 144.63
    n-dodecanol 50.52
    dimethoxymethane 450.59
    ethylene carbonate 265.43
    cyrene 164.88
    2-ethoxyethyl acetate 119.47
    2-ethylhexyl acetate 74.59
    1,2,4-trichlorobenzene 175.63
    4-methylpyridine 204.78
    dibutyl ether 86.41
    2,6-dimethyl-4-heptanol 58.77
    DEF 255.19
    dimethyl isosorbide 219.37
    tetrachloroethylene 341.87
    eugenol 117.18
    triacetin 139.6
    span 80 99.85
    1,4-butanediol 144.19
    1,1-dichloroethane 354.14
    2-methyl-1-pentanol 80.05
    methyl formate 524.64
    2-methyl-1-butanol 99.72
    n-decane 22.22
    butyronitrile 195.83
    3,7-dimethyl-1-octanol 70.42
    1-chlorooctane 70.37
    1-chlorotetradecane 34.26
    n-nonane 22.09
    undecane 17.71
    tert-butylcyclohexane 21.86
    cyclooctane 16.14
    cyclopentanol 241.22
    tetrahydropyran 330.11
    tert-amyl methyl ether 115.31
    2,5,8-trioxanonane 225.73
    1-hexene 45.05
    2-isopropoxyethanol 188.39
    2,2,2-trifluoroethanol 198.2
    methyl butyrate 197.48

    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

Botanical

Name CAS Botanical Proportion
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 2.72%