Methyl 5-methylsalicylate

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  • Identifiers

    CAS number
    22717-57-3

    Molecular formula
    C9H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 69.25%
    Sweet 56.03%
    Phenolic 50.1%
    Floral 49.07%
    Herbal 40.11%
    Mint 37.1%
    Cherry 36.34%
    Grape 34.4%
    Aromatic 33.76%
    Green 30.32%

     

    Flavor
    Bitter 45.48%
    Sweet 36.48%
    Herbal 36.31%
    Phenolic 34.45%
    Woody 32.38%
    Wintergreen 31.1%
    Powdery 31.09%
    Floral 28.85%
    Spicy 27.51%
    Balsam 26.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.49 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 116.68 ˚C est.

  • Synonyms

    • Methyl 5-methylsalicylate
    • 22717-57-3
    • Methyl 2-hydroxy-5-methylbenzoate
    • Benzoic acid, 2-hydroxy-5-methyl-, methyl ester
    • 2-Hydroxy-5-methylbenzoic acid methyl ester
    • methyl-5-methylsalicylate
    • 2,5-Cresotic acid, methyl ester
    • 8GMK8QL99V
    • MFCD00016485
    • EINECS 245-173-5
    • UNII-8GMK8QL99V
    • NSC 165635
    • NSC-165635
    • p-Cresotic Acid Methyl Ester
    • DTXSID0066822
    • Methylsalicylic acid methyl ester
    • 5-Methylsalicylic Acid Methyl Ester
    • 6-Hydroxy-m-toluic Acid Methyl Ester
    • 2-(METHOXYCARBONYL)-4-METHYLPHENOL
    • METHYL SALICYLATE IMPURITY J [EP IMPURITY]
    • METHYL SALICYLATE IMPURITY J (EP IMPURITY)
    • Methyl 6-hydroxy-m-toluate
    • 2-(Methoxycarbonyl)-4-methylphenol; 2-Hydroxy-5-methylbenzoic Acid Methyl Ester; Methyl 5-Methylsalicylate; NSC 165635
    • methyl 5-methyl salicylate
    • methyl-5-methyl salicylate
    • SCHEMBL122473
    • DTXCID7036741
    • Methyl 5-methylsalicylate, 96%
    • ALBB-032127
    • STR08585
    • 5-methyl-salicylic acid methyl ester
    • Methyl 2-hydroxy-5-methylbenzoate #
    • NSC165635
    • AKOS005257023
    • AC-8705
    • FM41599
    • PS-4484
    • SY035511
    • 5-Methylsalicylic acid methyl ester, 96%
    • DB-007691
    • CS-0153321
    • M1353
    • NS00020280
    • 2-hydroxy-5-methyl-benzoic acid methyl ester
    • 2-Hydroxy-5-methylbenzoic acid, methyl ester
    • EN300-29835
    • D85986
    • Z112959166
    • 245-173-5

  • Applications

    Methyl 5-methylsalicylate (CAS 22717-57-3) is used as an aroma compound in perfumery and flavor applications, contributing minty notes; it also serves as an ingredient in cosmetics and personal care products where fragrance is desired; in household products it functions as a scent component in air fresheners and cleaners; in industrial manufacturing it is employed as an intermediate for the synthesis of fragrance and aroma chemicals; it may be used as a chemical intermediate in synthesis workflows under appropriate handling and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 235.36
    methanol 249.58
    isopropanol 194.23
    water 0.86
    ethyl acetate 97.55
    n-propanol 179.02
    acetone 235.5
    n-butanol 164.07
    acetonitrile 124.33
    DMF 890.86
    toluene 67.41
    isobutanol 122.92
    1,4-dioxane 269.74
    methyl acetate 136.63
    THF 454.95
    2-butanone 181.93
    n-pentanol 125.63
    sec-butanol 145.63
    n-hexane 3.41
    ethylene glycol 115.67
    NMP 224.86
    cyclohexane 5.99
    DMSO 544.67
    n-butyl acetate 54.33
    n-octanol 64.92
    chloroform 197.08
    n-propyl acetate 55.74
    acetic acid 77.73
    dichloromethane 211.16
    cyclohexanone 153.84
    propylene glycol 113.84
    isopropyl acetate 53.37
    DMAc 365.91
    2-ethoxyethanol 197.41
    isopentanol 120.78
    n-heptane 5.17
    ethyl formate 137.07
    1,2-dichloroethane 143.28
    n-hexanol 130.53
    2-methoxyethanol 407.7
    isobutyl acetate 35.33
    tetrachloromethane 23.37
    n-pentyl acetate 41.93
    transcutol 133.27
    n-heptanol 69.75
    ethylbenzene 41.42
    MIBK 76.55
    2-propoxyethanol 207.37
    tert-butanol 231.54
    MTBE 91.94
    2-butoxyethanol 105.8
    propionic acid 83.99
    o-xylene 49.73
    formic acid 59.92
    diethyl ether 76.32
    m-xylene 54.93
    p-xylene 47.73
    chlorobenzene 67.6
    dimethyl carbonate 72.06
    n-octane 3.37
    formamide 129.62
    cyclopentanone 240.37
    2-pentanone 133.79
    anisole 105.91
    cyclopentyl methyl ether 108.35
    gamma-butyrolactone 218.03
    1-methoxy-2-propanol 275.4
    pyridine 157.71
    3-pentanone 81.38
    furfural 202.83
    n-dodecane 4.66
    diethylene glycol 197.49
    diisopropyl ether 18.21
    tert-amyl alcohol 157.6
    acetylacetone 131.08
    n-hexadecane 5.41
    acetophenone 85.51
    methyl propionate 113.24
    isopentyl acetate 51.93
    trichloroethylene 219.32
    n-nonanol 55.96
    cyclohexanol 104.81
    benzyl alcohol 115.11
    2-ethylhexanol 63.51
    isooctanol 52.45
    dipropyl ether 42.0
    1,2-dichlorobenzene 60.98
    ethyl lactate 58.66
    propylene carbonate 105.12
    n-methylformamide 298.01
    2-pentanol 89.28
    n-pentane 3.88
    1-propoxy-2-propanol 116.05
    1-methoxy-2-propyl acetate 75.18
    2-(2-methoxypropoxy) propanol 80.58
    mesitylene 30.6
    ε-caprolactone 115.37
    p-cymene 28.92
    epichlorohydrin 291.91
    1,1,1-trichloroethane 90.39
    2-aminoethanol 169.5
    morpholine-4-carbaldehyde 252.22
    sulfolane 265.96
    2,2,4-trimethylpentane 4.62
    2-methyltetrahydrofuran 175.01
    n-hexyl acetate 63.33
    isooctane 4.28
    2-(2-butoxyethoxy)ethanol 104.0
    sec-butyl acetate 35.27
    tert-butyl acetate 66.55
    decalin 7.02
    glycerin 154.48
    diglyme 166.94
    acrylic acid 75.83
    isopropyl myristate 28.58
    n-butyric acid 114.61
    acetyl acetate 47.2
    di(2-ethylhexyl) phthalate 33.94
    ethyl propionate 54.76
    nitromethane 182.1
    1,2-diethoxyethane 51.36
    benzonitrile 93.11
    trioctyl phosphate 30.69
    1-bromopropane 75.94
    gamma-valerolactone 262.0
    n-decanol 44.74
    triethyl phosphate 33.34
    4-methyl-2-pentanol 55.42
    propionitrile 118.25
    vinylene carbonate 109.54
    1,1,2-trichlorotrifluoroethane 175.52
    DMS 46.85
    cumene 31.48
    2-octanol 45.35
    2-hexanone 77.37
    octyl acetate 40.31
    limonene 36.78
    1,2-dimethoxyethane 264.78
    ethyl orthosilicate 29.38
    tributyl phosphate 27.86
    diacetone alcohol 136.83
    N,N-dimethylaniline 72.77
    acrylonitrile 161.69
    aniline 100.32
    1,3-propanediol 221.17
    bromobenzene 65.56
    dibromomethane 132.97
    1,1,2,2-tetrachloroethane 176.23
    2-methyl-cyclohexyl acetate 46.19
    tetrabutyl urea 48.9
    diisobutyl methanol 37.98
    2-phenylethanol 107.01
    styrene 48.25
    dioctyl adipate 40.5
    dimethyl sulfate 110.58
    ethyl butyrate 47.8
    methyl lactate 87.83
    butyl lactate 45.89
    diethyl carbonate 37.55
    propanediol butyl ether 90.56
    triethyl orthoformate 33.76
    p-tert-butyltoluene 29.13
    methyl 4-tert-butylbenzoate 79.6
    morpholine 299.81
    tert-butylamine 99.97
    n-dodecanol 34.18
    dimethoxymethane 310.16
    ethylene carbonate 85.96
    cyrene 98.65
    2-ethoxyethyl acetate 55.07
    2-ethylhexyl acetate 37.23
    1,2,4-trichlorobenzene 69.78
    4-methylpyridine 156.47
    dibutyl ether 33.17
    2,6-dimethyl-4-heptanol 37.98
    DEF 161.18
    dimethyl isosorbide 122.63
    tetrachloroethylene 96.03
    eugenol 89.58
    triacetin 48.28
    span 80 69.26
    1,4-butanediol 101.84
    1,1-dichloroethane 117.4
    2-methyl-1-pentanol 94.12
    methyl formate 233.37
    2-methyl-1-butanol 113.49
    n-decane 6.43
    butyronitrile 130.34
    3,7-dimethyl-1-octanol 55.8
    1-chlorooctane 30.95
    1-chlorotetradecane 14.22
    n-nonane 5.47
    undecane 5.47
    tert-butylcyclohexane 7.12
    cyclooctane 2.87
    cyclopentanol 132.91
    tetrahydropyran 161.71
    tert-amyl methyl ether 70.66
    2,5,8-trioxanonane 129.6
    1-hexene 22.35
    2-isopropoxyethanol 114.0
    2,2,2-trifluoroethanol 41.57
    methyl butyrate 83.27

    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