Methyl 4-methoxysalicylate

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  • Identifiers

    CAS number
    5446-02-6

    Molecular formula
    C9H10O4

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1478.0

  • Odor profile

    Fragrance
    Sweet 72.7%
    Fruity 52.34%
    Floral 50.69%
    Phenolic 48.36%
    Green 44.13%
    Herbal 43.1%
    Spicy 36.37%
    Aromatic 35.16%
    Anisic 34.9%
    Vanilla 34.11%

     

    Flavor
    Bitter 43.39%
    Herbal 29.08%
    Wintergreen 26.47%
    Odorless 24.68%
    Fruity 22.96%
    Floral 22.64%
    Balsam 22.29%
    Ethyl benzoate 22.11%
    Aniseed 21.66%
    Parsley 21.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.59 (neutral)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 123.32 ˚C est.

  • Synonyms

    • Methyl 4-methoxysalicylate
    • Methyl 2-hydroxy-4-methoxybenzoate
    • 5446-02-6
    • Benzoic acid, 2-hydroxy-4-methoxy-, methyl ester
    • 2-Hydroxy-4-methoxybenzoic Acid Methyl Ester
    • Methyl-4-methoxysalicylate
    • MFCD00008424
    • 2-hydroxy-4-methoxy-benzoic acid methyl ester
    • DTXSID00202860
    • EINECS 226-657-5
    • NSC 17154
    • NSC-17154
    • 4-Methoxysalicylic Acid Methyl Ester
    • 2-Hydroxy-4-methoxybenzoic Acid Methyl Ester; 2-Hydroxy-p-anisic Acid Methyl Ester; Methyl 2-Hydroxy-4-methoxybenzoate; Methyl 4-Methoxy-2-hydroxybenzoate; NSC 17154
    • Methyl 2-Hydroxy-p-anisate
    • SCHEMBL294143
    • CHEMBL502178
    • 2-methoxycarbonyl-5-methoxyphenol
    • DTXCID30125351
    • Methyl 4-methoxysalicylate, 98%
    • Methyl2-hydroxy-4-methoxybenzoate
    • 2R86H93L9U
    • methyl 4-methoxy,2-hydroxybenzoate
    • methyl 4-methoxy-2-hydroxybenzoate
    • NSC17154
    • methyl 2-hydroxy-4-methoxy-benzoate
    • STK279065
    • AKOS000121550
    • Methyl 2-hydroxy-4-methoxybenzoate #
    • CS-W009087
    • PS-6101
    • AC-23898
    • p-Anisic acid, 2-hydroxy-, methyl ester
    • SY008082
    • DB-007687
    • M1797
    • NS00044939
    • EN300-15505
    • A10288
    • Z24769843
    • (6E)-6-(Hydroxymethoxymethylene)-3-methoxy-2,4-cyclohexadien-1-one
    • 2,4-Cyclohexadien-1-one, 6-(hydroxymethoxymethylene)-3-methoxy-, (6E)-
    • 226-657-5

  • Applications

    Methyl 4-methoxysalicylate (CAS 5446-02-6) is primarily used as a fragrance ingredient and odorant in perfumery, imparting targeted aroma notes and serving as a building block for related scent compounds; in cosmetics and personal care, it may be incorporated as a fragrance component. It is also employed in household products such as air fresheners and detergents to impart subtle aromatic cues, and can function as an intermediate or starting material in industrial manufacturing for related salicylate esters and aroma compounds. Its use is typically formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.03
    methanol 50.82
    isopropanol 37.91
    water 0.3
    ethyl acetate 76.79
    n-propanol 34.17
    acetone 185.85
    n-butanol 30.64
    acetonitrile 81.39
    DMF 445.76
    toluene 11.86
    isobutanol 21.52
    1,4-dioxane 97.75
    methyl acetate 91.12
    THF 306.35
    2-butanone 110.8
    n-pentanol 24.53
    sec-butanol 34.31
    n-hexane 3.29
    ethylene glycol 34.94
    NMP 439.35
    cyclohexane 2.34
    DMSO 1044.95
    n-butyl acetate 52.27
    n-octanol 13.67
    chloroform 103.7
    n-propyl acetate 47.84
    acetic acid 85.46
    dichloromethane 145.06
    cyclohexanone 107.06
    propylene glycol 35.97
    isopropyl acetate 46.25
    DMAc 336.66
    2-ethoxyethanol 95.32
    isopentanol 27.97
    n-heptane 2.37
    ethyl formate 56.53
    1,2-dichloroethane 127.84
    n-hexanol 28.39
    2-methoxyethanol 161.75
    isobutyl acetate 21.16
    tetrachloromethane 18.25
    n-pentyl acetate 23.65
    transcutol 247.79
    n-heptanol 12.88
    ethylbenzene 12.49
    MIBK 52.41
    2-propoxyethanol 92.76
    tert-butanol 65.65
    MTBE 54.59
    2-butoxyethanol 39.62
    propionic acid 57.9
    o-xylene 15.37
    formic acid 69.34
    diethyl ether 56.5
    m-xylene 13.79
    p-xylene 12.59
    chlorobenzene 31.95
    dimethyl carbonate 82.19
    n-octane 0.72
    formamide 174.58
    cyclopentanone 225.98
    2-pentanone 89.54
    anisole 62.85
    cyclopentyl methyl ether 93.86
    gamma-butyrolactone 277.45
    1-methoxy-2-propanol 129.7
    pyridine 64.81
    3-pentanone 71.46
    furfural 207.06
    n-dodecane 0.69
    diethylene glycol 103.52
    diisopropyl ether 17.64
    tert-amyl alcohol 55.72
    acetylacetone 145.29
    n-hexadecane 0.83
    acetophenone 65.17
    methyl propionate 92.39
    isopentyl acetate 43.26
    trichloroethylene 221.15
    n-nonanol 12.52
    cyclohexanol 29.12
    benzyl alcohol 39.39
    2-ethylhexanol 18.77
    isooctanol 11.2
    dipropyl ether 28.51
    1,2-dichlorobenzene 42.28
    ethyl lactate 45.22
    propylene carbonate 121.47
    n-methylformamide 174.63
    2-pentanol 26.01
    n-pentane 2.47
    1-propoxy-2-propanol 64.92
    1-methoxy-2-propyl acetate 85.86
    2-(2-methoxypropoxy) propanol 73.25
    mesitylene 10.86
    ε-caprolactone 96.27
    p-cymene 11.91
    epichlorohydrin 289.63
    1,1,1-trichloroethane 82.47
    2-aminoethanol 45.71
    morpholine-4-carbaldehyde 238.22
    sulfolane 551.91
    2,2,4-trimethylpentane 2.64
    2-methyltetrahydrofuran 133.98
    n-hexyl acetate 37.09
    isooctane 1.86
    2-(2-butoxyethoxy)ethanol 75.62
    sec-butyl acetate 28.98
    tert-butyl acetate 69.61
    decalin 3.09
    glycerin 83.28
    diglyme 167.03
    acrylic acid 70.21
    isopropyl myristate 14.89
    n-butyric acid 54.2
    acetyl acetate 54.34
    di(2-ethylhexyl) phthalate 19.29
    ethyl propionate 55.55
    nitromethane 321.55
    1,2-diethoxyethane 52.31
    benzonitrile 39.21
    trioctyl phosphate 13.82
    1-bromopropane 42.23
    gamma-valerolactone 230.07
    n-decanol 9.23
    triethyl phosphate 35.89
    4-methyl-2-pentanol 17.1
    propionitrile 43.89
    vinylene carbonate 88.22
    1,1,2-trichlorotrifluoroethane 205.54
    DMS 64.43
    cumene 11.24
    2-octanol 8.99
    2-hexanone 56.91
    octyl acetate 20.04
    limonene 18.19
    1,2-dimethoxyethane 157.61
    ethyl orthosilicate 28.42
    tributyl phosphate 19.71
    diacetone alcohol 104.18
    N,N-dimethylaniline 47.51
    acrylonitrile 72.31
    aniline 35.55
    1,3-propanediol 57.21
    bromobenzene 28.6
    dibromomethane 79.61
    1,1,2,2-tetrachloroethane 159.98
    2-methyl-cyclohexyl acetate 40.3
    tetrabutyl urea 30.51
    diisobutyl methanol 12.74
    2-phenylethanol 38.68
    styrene 15.45
    dioctyl adipate 30.86
    dimethyl sulfate 226.49
    ethyl butyrate 44.21
    methyl lactate 85.43
    butyl lactate 30.85
    diethyl carbonate 37.26
    propanediol butyl ether 47.33
    triethyl orthoformate 34.94
    p-tert-butyltoluene 12.9
    methyl 4-tert-butylbenzoate 58.42
    morpholine 135.9
    tert-butylamine 31.82
    n-dodecanol 6.65
    dimethoxymethane 191.63
    ethylene carbonate 67.03
    cyrene 91.74
    2-ethoxyethyl acetate 49.59
    2-ethylhexyl acetate 33.6
    1,2,4-trichlorobenzene 56.14
    4-methylpyridine 62.47
    dibutyl ether 16.59
    2,6-dimethyl-4-heptanol 12.74
    DEF 122.89
    dimethyl isosorbide 142.95
    tetrachloroethylene 93.75
    eugenol 52.67
    triacetin 58.42
    span 80 44.18
    1,4-butanediol 23.73
    1,1-dichloroethane 78.5
    2-methyl-1-pentanol 23.62
    methyl formate 143.95
    2-methyl-1-butanol 25.84
    n-decane 1.19
    butyronitrile 39.31
    3,7-dimethyl-1-octanol 16.26
    1-chlorooctane 8.43
    1-chlorotetradecane 3.18
    n-nonane 1.08
    undecane 0.89
    tert-butylcyclohexane 3.15
    cyclooctane 1.26
    cyclopentanol 48.03
    tetrahydropyran 68.7
    tert-amyl methyl ether 48.17
    2,5,8-trioxanonane 117.6
    1-hexene 12.21
    2-isopropoxyethanol 56.25
    2,2,2-trifluoroethanol 67.95
    methyl butyrate 65.84

    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
Acacia caven flower Acacia caven (Mol.) Mol., fam. Mimosaceae (Leguminosae) 0.4%