2-Methoxy-4-(methoxymethyl)phenol

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  • Identifiers

    CAS number
    5533-03-9

    Molecular formula
    C9H12O3

    SMILES
    COCC1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 83.7%
    Sweet 82.23%
    Phenolic 63.08%
    Spicy 61.31%
    Balsamic 55.12%
    Floral 52.7%
    Smoky 51.8%
    Powdery 51.41%
    Creamy 49.52%
    Woody 48.53%

     

    Flavor
    Sweet 78.14%
    Vanilla 64.74%
    Phenolic 56.36%
    Smoky 55.85%
    Spicy 53.92%
    Woody 51.92%
    Powdery 48.07%
    Spice 46.69%
    Clove 43.65%
    Creamy 43.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.62 (neutral)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 115.79 ˚C est.

  • Synonyms

    • 2-Methoxy-4-(methoxymethyl)phenol
    • 5533-03-9
    • Phenol, 2-methoxy-4-(methoxymethyl)-
    • EINECS 226-882-9
    • DTXSID40203896
    • RefChem:474373
    • DTXCID70126387
    • 226-882-9
    • 2-methoxy-4-(methoxymethyl)-pheno
    • Methyl vanillyl ether
    • Phenol,2-methoxy-4-(methoxymethyl)-
    • SCHEMBL116859
    • U8S4BRR944
    • SCHEMBL29639708
    • MFCD24713449
    • 2-Methoxy-4-(methoxymethyl)phenol #
    • 4-hydroxy-3-methoxybenzyl methyl ether
    • HS-3465
    • SY264226
    • DB-277450
    • NS00012834
    • 5533-03-9

  • Applications

    2-Methoxy-4-(methoxymethyl)phenol (CAS 5533-03-9) is commonly used as a fragrance ingredient and as a fragrance synthesis intermediate in the perfumery and cosmetics industries; it also serves as an aroma component in personal care products and in household cleaners to impart a distinctive scent. In industrial manufacturing, it acts as an intermediate for the synthesis of fragrance-related compounds and specialty chemicals. In materials-related applications, it can be employed as an odorant additive or fragrance-release component in polymers, coatings, and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 417.03
    methanol 591.56
    isopropanol 286.32
    water 18.02
    ethyl acetate 381.08
    n-propanol 338.33
    acetone 523.34
    n-butanol 240.56
    acetonitrile 371.68
    DMF 746.14
    toluene 46.89
    isobutanol 201.29
    1,4-dioxane 584.49
    methyl acetate 442.06
    THF 642.55
    2-butanone 283.71
    n-pentanol 146.27
    sec-butanol 220.83
    n-hexane 7.84
    ethylene glycol 387.39
    NMP 409.73
    cyclohexane 21.19
    DMSO 998.28
    n-butyl acetate 158.5
    n-octanol 55.52
    chloroform 476.76
    n-propyl acetate 198.19
    acetic acid 1150.28
    dichloromethane 500.08
    cyclohexanone 318.72
    propylene glycol 272.76
    isopropyl acetate 186.76
    DMAc 408.32
    2-ethoxyethanol 583.88
    isopentanol 197.33
    n-heptane 9.31
    ethyl formate 295.95
    1,2-dichloroethane 407.41
    n-hexanol 122.86
    2-methoxyethanol 1018.67
    isobutyl acetate 110.11
    tetrachloromethane 103.47
    n-pentyl acetate 79.49
    transcutol 779.96
    n-heptanol 60.2
    ethylbenzene 37.09
    MIBK 150.35
    2-propoxyethanol 307.92
    tert-butanol 514.93
    MTBE 305.72
    2-butoxyethanol 167.79
    propionic acid 466.32
    o-xylene 52.73
    formic acid 826.6
    diethyl ether 277.44
    m-xylene 47.92
    p-xylene 44.4
    chlorobenzene 115.77
    dimethyl carbonate 224.74
    n-octane 4.2
    formamide 1164.97
    cyclopentanone 444.74
    2-pentanone 215.26
    anisole 165.84
    cyclopentyl methyl ether 255.95
    gamma-butyrolactone 669.34
    1-methoxy-2-propanol 500.19
    pyridine 283.56
    3-pentanone 161.54
    furfural 556.94
    n-dodecane 4.11
    diethylene glycol 421.66
    diisopropyl ether 67.65
    tert-amyl alcohol 340.93
    acetylacetone 339.89
    n-hexadecane 4.6
    acetophenone 155.07
    methyl propionate 301.11
    isopentyl acetate 139.41
    trichloroethylene 746.66
    n-nonanol 49.5
    cyclohexanol 197.33
    benzyl alcohol 145.18
    2-ethylhexanol 72.6
    isooctanol 52.33
    dipropyl ether 78.12
    1,2-dichlorobenzene 136.16
    ethyl lactate 139.25
    propylene carbonate 332.99
    n-methylformamide 591.12
    2-pentanol 149.02
    n-pentane 11.37
    1-propoxy-2-propanol 179.72
    1-methoxy-2-propyl acetate 197.67
    2-(2-methoxypropoxy) propanol 158.08
    mesitylene 39.23
    ε-caprolactone 312.25
    p-cymene 37.63
    epichlorohydrin 689.43
    1,1,1-trichloroethane 323.77
    2-aminoethanol 459.15
    morpholine-4-carbaldehyde 524.58
    sulfolane 670.8
    2,2,4-trimethylpentane 13.68
    2-methyltetrahydrofuran 359.75
    n-hexyl acetate 113.58
    isooctane 9.36
    2-(2-butoxyethoxy)ethanol 210.51
    sec-butyl acetate 121.61
    tert-butyl acetate 248.83
    decalin 12.96
    glycerin 505.46
    diglyme 459.94
    acrylic acid 544.08
    isopropyl myristate 44.84
    n-butyric acid 424.24
    acetyl acetate 308.58
    di(2-ethylhexyl) phthalate 51.34
    ethyl propionate 162.66
    nitromethane 1631.52
    1,2-diethoxyethane 165.35
    benzonitrile 136.01
    trioctyl phosphate 41.31
    1-bromopropane 125.05
    gamma-valerolactone 594.32
    n-decanol 36.64
    triethyl phosphate 83.37
    4-methyl-2-pentanol 88.58
    propionitrile 212.46
    vinylene carbonate 322.27
    1,1,2-trichlorotrifluoroethane 722.96
    DMS 156.37
    cumene 35.73
    2-octanol 37.39
    2-hexanone 139.56
    octyl acetate 57.35
    limonene 54.9
    1,2-dimethoxyethane 525.89
    ethyl orthosilicate 76.02
    tributyl phosphate 52.0
    diacetone alcohol 286.48
    N,N-dimethylaniline 108.47
    acrylonitrile 330.63
    aniline 154.95
    1,3-propanediol 524.95
    bromobenzene 97.53
    dibromomethane 271.38
    1,1,2,2-tetrachloroethane 520.32
    2-methyl-cyclohexyl acetate 107.92
    tetrabutyl urea 61.74
    diisobutyl methanol 48.98
    2-phenylethanol 116.95
    styrene 48.44
    dioctyl adipate 77.26
    dimethyl sulfate 337.51
    ethyl butyrate 123.39
    methyl lactate 225.02
    butyl lactate 80.08
    diethyl carbonate 109.94
    propanediol butyl ether 151.21
    triethyl orthoformate 97.54
    p-tert-butyltoluene 39.24
    methyl 4-tert-butylbenzoate 130.9
    morpholine 691.55
    tert-butylamine 229.32
    n-dodecanol 28.42
    dimethoxymethane 498.77
    ethylene carbonate 267.92
    cyrene 197.81
    2-ethoxyethyl acetate 144.19
    2-ethylhexyl acetate 104.77
    1,2,4-trichlorobenzene 172.08
    4-methylpyridine 183.92
    dibutyl ether 55.54
    2,6-dimethyl-4-heptanol 48.98
    DEF 275.66
    dimethyl isosorbide 251.31
    tetrachloroethylene 407.87
    eugenol 127.81
    triacetin 157.35
    span 80 114.75
    1,4-butanediol 189.57
    1,1-dichloroethane 289.72
    2-methyl-1-pentanol 126.35
    methyl formate 538.64
    2-methyl-1-butanol 181.59
    n-decane 6.5
    butyronitrile 168.52
    3,7-dimethyl-1-octanol 59.15
    1-chlorooctane 32.48
    1-chlorotetradecane 14.04
    n-nonane 5.92
    undecane 5.01
    tert-butylcyclohexane 13.12
    cyclooctane 7.69
    cyclopentanol 240.5
    tetrahydropyran 375.7
    tert-amyl methyl ether 197.75
    2,5,8-trioxanonane 286.06
    1-hexene 32.13
    2-isopropoxyethanol 289.67
    2,2,2-trifluoroethanol 582.59
    methyl butyrate 209.4

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.065 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.065 %
Category 2
Products applied to the axillae
 0.08 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.065 %
Category 3
Products applied to the face/body using fingertips
 0.065 % Category 8
Products with significant anogenital exposure
 0.022 %
Category 4
Products related to fine fragrance
 1.5 % Category 9
Products with body and hand exposure, primarily rinse off
 2.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.38 % Category 10A
Household care products with mostly hand contact
 5.8 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.065 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 11 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.065 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.022 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.022 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.022 %
Category 6
Products with oral and lip exposure
 0.065 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction