2,3-Dimethoxyphenol

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  • Identifiers

    CAS number
    5150-42-5

    Molecular formula
    C8H10O3

    SMILES
    COC1=CC=CC(=C1OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 83.04%
    Spicy 72.44%
    Smoky 71.86%
    Vanilla 70.19%
    Sweet 64.05%
    Woody 62.93%
    Medicinal 51.78%
    Burnt 48.12%
    Balsamic 48.01%
    Clove 47.7%

     

    Flavor
    Phenolic 69.86%
    Smoky 57.55%
    Spice 55.56%
    Woody 54.93%
    Smoke 47.58%
    Bacon 47.39%
    Vanilla 44.54%
    Medicinal 44.09%
    Sweet 37.95%
    Clove 37.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    9.52 (weak base)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 97.91 ˚C est.

  • Synonyms

    • 2,3-Dimethoxyphenol
    • 5150-42-5
    • Phenol, 2,3-dimethoxy-
    • 1-Hydroxy-2,3-dimethoxybenzene
    • dimethoxy-phenol
    • OW147I6C84
    • EINECS 225-922-2
    • NSC 80659
    • NSC-80659
    • RefChem:442450
    • Phenol, 2,3-dimethoxy-(8CI)
    • Phenol, 2,3-dimethoxy-(8CI)(9CI)
    • 225-922-2
    • Dimethoxyphenol
    • Phenol, dimethoxy-
    • 2,3-dimethoxy-phenol
    • MFCD00008366
    • Pyrogallol 1,2-dimethyl ether
    • 2.3-Dimethoxyphenol
    • 25155-26-4
    • 2,3-dimethoxy phenol
    • 1-Hydroxy-2,3-dimethoxybenzene; NSC 80659
    • UNII-OW147I6C84
    • NSC80659
    • Phenol,3-dimethoxy-
    • 2,3-di-methoxyphenol
    • 2,3-dim ethoxyphenol
    • 2, 3-dimethoxylphenol
    • 2,3-Dimethoxyphenol, 98%
    • SCHEMBL186826
    • orb3023539
    • SCHEMBL1047908
    • SCHEMBL1299477
    • SCHEMBL2439645
    • SCHEMBL2439646
    • CHEBI:193967
    • DTXSID001364326
    • AKOS015888213
    • EBC-153067
    • SY061558
    • TS-02053
    • DB-019773
    • CS-0150321
    • NS00045468
    • ST50824470
    • EN300-217877
    • F692599
    • Q27285874
    • Z1255386720
    • 5150-42-5

  • Applications

    2,3-Dimethoxyphenol (CAS 5150-42-5) is primarily used as a specialty intermediate in organic synthesis for fragrance and flavor chemistry; it serves as a building block for odorants and aroma ingredients used in perfumery and consumer products, and can be converted to vanillin-related derivatives. It is also encountered as an intermediate in the synthesis of pharmaceutical and crop protection compounds. Additionally, it can act as a starting material for the preparation of specialty polymers or coating formulations that incorporate phenolic and methoxy functionalities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 644.11
    methanol 763.65
    isopropanol 381.73
    water 7.79
    ethyl acetate 845.4
    n-propanol 426.92
    acetone 1346.93
    n-butanol 304.69
    acetonitrile 1289.56
    DMF 1349.07
    toluene 105.03
    isobutanol 245.3
    1,4-dioxane 2001.47
    methyl acetate 962.32
    THF 1766.15
    2-butanone 687.72
    n-pentanol 249.55
    sec-butanol 295.06
    n-hexane 41.54
    ethylene glycol 581.31
    NMP 716.74
    cyclohexane 87.91
    DMSO 2480.82
    n-butyl acetate 361.82
    n-octanol 142.6
    chloroform 1030.64
    n-propyl acetate 492.29
    acetic acid 1002.26
    dichloromethane 1323.63
    cyclohexanone 753.91
    propylene glycol 282.64
    isopropyl acetate 364.91
    DMAc 530.85
    2-ethoxyethanol 891.05
    isopentanol 212.93
    n-heptane 44.86
    ethyl formate 720.33
    1,2-dichloroethane 1078.69
    n-hexanol 217.06
    2-methoxyethanol 1402.95
    isobutyl acetate 214.23
    tetrachloromethane 244.88
    n-pentyl acetate 196.99
    transcutol 706.36
    n-heptanol 123.42
    ethylbenzene 95.36
    MIBK 277.77
    2-propoxyethanol 579.93
    tert-butanol 475.53
    MTBE 382.72
    2-butoxyethanol 275.92
    propionic acid 615.08
    o-xylene 91.91
    formic acid 605.01
    diethyl ether 667.93
    m-xylene 97.95
    p-xylene 126.31
    chlorobenzene 298.91
    dimethyl carbonate 443.62
    n-octane 25.36
    formamide 1118.92
    cyclopentanone 1138.12
    2-pentanone 537.55
    anisole 297.35
    cyclopentyl methyl ether 532.18
    gamma-butyrolactone 1736.15
    1-methoxy-2-propanol 750.32
    pyridine 646.09
    3-pentanone 435.23
    furfural 1031.85
    n-dodecane 21.78
    diethylene glycol 689.32
    diisopropyl ether 151.86
    tert-amyl alcohol 305.81
    acetylacetone 752.07
    n-hexadecane 25.18
    acetophenone 274.16
    methyl propionate 692.68
    isopentyl acetate 239.68
    trichloroethylene 1472.66
    n-nonanol 121.4
    cyclohexanol 293.4
    benzyl alcohol 238.86
    2-ethylhexanol 142.07
    isooctanol 101.2
    dipropyl ether 228.04
    1,2-dichlorobenzene 294.2
    ethyl lactate 257.41
    propylene carbonate 699.1
    n-methylformamide 1115.71
    2-pentanol 220.53
    n-pentane 44.18
    1-propoxy-2-propanol 344.81
    1-methoxy-2-propyl acetate 340.96
    2-(2-methoxypropoxy) propanol 205.33
    mesitylene 81.62
    ε-caprolactone 684.58
    p-cymene 73.46
    epichlorohydrin 1788.65
    1,1,1-trichloroethane 760.9
    2-aminoethanol 515.32
    morpholine-4-carbaldehyde 988.12
    sulfolane 1851.6
    2,2,4-trimethylpentane 26.41
    2-methyltetrahydrofuran 882.71
    n-hexyl acetate 271.07
    isooctane 23.75
    2-(2-butoxyethoxy)ethanol 321.89
    sec-butyl acetate 235.29
    tert-butyl acetate 382.34
    decalin 42.36
    glycerin 527.77
    diglyme 727.88
    acrylic acid 630.51
    isopropyl myristate 109.37
    n-butyric acid 569.26
    acetyl acetate 499.28
    di(2-ethylhexyl) phthalate 85.19
    ethyl propionate 398.59
    nitromethane 2496.89
    1,2-diethoxyethane 347.84
    benzonitrile 315.3
    trioctyl phosphate 89.24
    1-bromopropane 391.64
    gamma-valerolactone 1275.42
    n-decanol 94.7
    triethyl phosphate 143.5
    4-methyl-2-pentanol 119.81
    propionitrile 590.91
    vinylene carbonate 665.07
    1,1,2-trichlorotrifluoroethane 984.11
    DMS 309.91
    cumene 73.08
    2-octanol 101.02
    2-hexanone 352.45
    octyl acetate 145.83
    limonene 108.06
    1,2-dimethoxyethane 1205.85
    ethyl orthosilicate 129.57
    tributyl phosphate 99.65
    diacetone alcohol 418.09
    N,N-dimethylaniline 160.83
    acrylonitrile 844.39
    aniline 217.87
    1,3-propanediol 641.0
    bromobenzene 290.82
    dibromomethane 849.75
    1,1,2,2-tetrachloroethane 1053.93
    2-methyl-cyclohexyl acetate 173.07
    tetrabutyl urea 127.79
    diisobutyl methanol 95.48
    2-phenylethanol 201.85
    styrene 128.48
    dioctyl adipate 152.53
    dimethyl sulfate 662.42
    ethyl butyrate 259.31
    methyl lactate 355.62
    butyl lactate 153.15
    diethyl carbonate 195.24
    propanediol butyl ether 243.29
    triethyl orthoformate 182.51
    p-tert-butyltoluene 75.57
    methyl 4-tert-butylbenzoate 204.49
    morpholine 1661.27
    tert-butylamine 234.74
    n-dodecanol 75.32
    dimethoxymethane 1146.61
    ethylene carbonate 601.87
    cyrene 263.28
    2-ethoxyethyl acetate 294.62
    2-ethylhexyl acetate 191.23
    1,2,4-trichlorobenzene 326.24
    4-methylpyridine 415.01
    dibutyl ether 164.5
    2,6-dimethyl-4-heptanol 95.48
    DEF 555.59
    dimethyl isosorbide 392.56
    tetrachloroethylene 780.57
    eugenol 203.78
    triacetin 265.47
    span 80 171.31
    1,4-butanediol 304.53
    1,1-dichloroethane 735.4
    2-methyl-1-pentanol 163.31
    methyl formate 1191.58
    2-methyl-1-butanol 197.78
    n-decane 33.95
    butyronitrile 478.58
    3,7-dimethyl-1-octanol 109.55
    1-chlorooctane 115.22
    1-chlorotetradecane 51.31
    n-nonane 34.36
    undecane 26.95
    tert-butylcyclohexane 38.55
    cyclooctane 35.92
    cyclopentanol 454.02
    tetrahydropyran 959.75
    tert-amyl methyl ether 263.25
    2,5,8-trioxanonane 417.79
    1-hexene 115.62
    2-isopropoxyethanol 445.05
    2,2,2-trifluoroethanol 502.44
    methyl butyrate 501.56

    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