Methyl 4-methylsalicylate

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  • Identifiers

    CAS number
    4670-56-8

    Molecular formula
    C9H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 55.71%
    Floral 55.41%
    Fruity 54.2%
    Sweet 51.98%
    Herbal 34.19%
    Aromatic 33.61%
    Mint 33.42%
    Grape 32.84%
    Animal 32.72%
    Medicinal 32.03%

     

    Flavor
    Bitter 44.34%
    Herbal 32.9%
    Phenolic 32.66%
    Woody 31.21%
    Wintergreen 28.35%
    Powdery 25.4%
    Odorless 25.1%
    Sweet 24.29%
    Floral 24.01%
    Tobacco 23.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.22 (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

    • 118.63 ˚C est.

  • Synonyms

    • Methyl 4-methylsalicylate
    • 4670-56-8
    • Methyl 2-hydroxy-4-methylbenzoate
    • Benzoic acid, 2-hydroxy-4-methyl-, methyl ester
    • 4-Methylsalicylic Acid Methyl Ester
    • methyl-4-methylsalicylate
    • CTH814P02Q
    • 63027-59-8
    • EINECS 225-117-6
    • MFCD00020130
    • AI3-24211
    • DTXSID40863434
    • 2-hydroxy-4-methyl-benzoic acid methyl ester
    • METHYL METHYLSALICYLATE
    • METHYL SALICYLATE IMPURITY K [EP IMPURITY]
    • Methyl m-Cresotate
    • Methyl hydroxytoluate
    • 2-Hydroxy-4-methylbenzoic acid methyl ester
    • METHYL SALICYLATE IMPURITY K (EP IMPURITY)
    • EINECS 263-802-1
    • Methyl m-Cresotinate
    • methyl 4-methyl-salicylate
    • UNII-CTH814P02Q
    • SCHEMBL135979
    • DTXCID10812055
    • methyl 4-methyl-2-hydroxybenzoate
    • AKOS008902450
    • AC-4408
    • CS-W017871
    • FM38239
    • AS-11005
    • SY004623
    • DB-051397
    • 2-Hydroxy-4-methyl-benzoic acid methylester
    • M1584
    • NS00012929
    • EN300-29833
    • H10754
    • Z16128570
    • 225-117-6

  • Applications

    Methyl 4-methylsalicylate, CAS 4670-56-8, is used primarily in perfumery and cosmetics as an odorant and a fixative, and appears in household cleaning products to provide fragrance. In industrial manufacturing, it serves as an intermediate for the synthesis of other salicylate esters and related aroma compounds. It is also evaluated for use in personal care formulations to augment scent profiles, depending on regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 349.2
    methanol 371.68
    isopropanol 325.85
    water 1.36
    ethyl acetate 283.41
    n-propanol 304.7
    acetone 484.65
    n-butanol 270.09
    acetonitrile 306.25
    DMF 928.37
    toluene 49.39
    isobutanol 206.51
    1,4-dioxane 647.08
    methyl acetate 312.49
    THF 1220.42
    2-butanone 323.02
    n-pentanol 172.85
    sec-butanol 252.47
    n-hexane 6.93
    ethylene glycol 137.24
    NMP 502.29
    cyclohexane 7.42
    DMSO 650.29
    n-butyl acetate 103.41
    n-octanol 57.76
    chloroform 272.55
    n-propyl acetate 120.22
    acetic acid 350.38
    dichloromethane 219.99
    cyclohexanone 317.55
    propylene glycol 157.58
    isopropyl acetate 156.01
    DMAc 403.03
    2-ethoxyethanol 304.84
    isopentanol 224.5
    n-heptane 4.87
    ethyl formate 186.27
    1,2-dichloroethane 209.37
    n-hexanol 161.11
    2-methoxyethanol 717.52
    isobutyl acetate 80.28
    tetrachloromethane 31.13
    n-pentyl acetate 60.38
    transcutol 317.26
    n-heptanol 66.91
    ethylbenzene 31.03
    MIBK 162.19
    2-propoxyethanol 305.71
    tert-butanol 461.67
    MTBE 232.95
    2-butoxyethanol 136.54
    propionic acid 229.21
    o-xylene 38.57
    formic acid 181.53
    diethyl ether 246.95
    m-xylene 52.61
    p-xylene 42.33
    chlorobenzene 80.8
    dimethyl carbonate 167.32
    n-octane 2.58
    formamide 317.46
    cyclopentanone 561.66
    2-pentanone 275.9
    anisole 124.66
    cyclopentyl methyl ether 306.16
    gamma-butyrolactone 647.44
    1-methoxy-2-propanol 508.61
    pyridine 209.67
    3-pentanone 163.17
    furfural 354.69
    n-dodecane 3.13
    diethylene glycol 304.54
    diisopropyl ether 56.29
    tert-amyl alcohol 288.79
    acetylacetone 303.4
    n-hexadecane 3.6
    acetophenone 102.79
    methyl propionate 249.4
    isopentyl acetate 95.29
    trichloroethylene 392.89
    n-nonanol 51.51
    cyclohexanol 192.1
    benzyl alcohol 104.87
    2-ethylhexanol 67.21
    isooctanol 53.94
    dipropyl ether 61.59
    1,2-dichlorobenzene 75.16
    ethyl lactate 81.93
    propylene carbonate 266.23
    n-methylformamide 446.8
    2-pentanol 186.62
    n-pentane 6.66
    1-propoxy-2-propanol 160.46
    1-methoxy-2-propyl acetate 141.8
    2-(2-methoxypropoxy) propanol 108.2
    mesitylene 33.79
    ε-caprolactone 264.34
    p-cymene 22.2
    epichlorohydrin 658.63
    1,1,1-trichloroethane 176.52
    2-aminoethanol 218.48
    morpholine-4-carbaldehyde 429.84
    sulfolane 582.51
    2,2,4-trimethylpentane 7.4
    2-methyltetrahydrofuran 569.19
    n-hexyl acetate 97.36
    isooctane 7.1
    2-(2-butoxyethoxy)ethanol 152.93
    sec-butyl acetate 86.13
    tert-butyl acetate 186.31
    decalin 8.01
    glycerin 256.07
    diglyme 263.84
    acrylic acid 211.73
    isopropyl myristate 40.12
    n-butyric acid 283.0
    acetyl acetate 155.64
    di(2-ethylhexyl) phthalate 41.32
    ethyl propionate 121.66
    nitromethane 664.18
    1,2-diethoxyethane 91.48
    benzonitrile 98.7
    trioctyl phosphate 35.25
    1-bromopropane 100.78
    gamma-valerolactone 577.66
    n-decanol 39.47
    triethyl phosphate 48.28
    4-methyl-2-pentanol 105.61
    propionitrile 200.94
    vinylene carbonate 221.38
    1,1,2-trichlorotrifluoroethane 328.34
    DMS 101.07
    cumene 26.91
    2-octanol 47.1
    2-hexanone 143.07
    octyl acetate 51.94
    limonene 33.77
    1,2-dimethoxyethane 417.06
    ethyl orthosilicate 44.97
    tributyl phosphate 38.68
    diacetone alcohol 264.45
    N,N-dimethylaniline 74.04
    acrylonitrile 253.08
    aniline 120.33
    1,3-propanediol 374.95
    bromobenzene 65.87
    dibromomethane 130.8
    1,1,2,2-tetrachloroethane 287.27
    2-methyl-cyclohexyl acetate 71.31
    tetrabutyl urea 51.04
    diisobutyl methanol 44.01
    2-phenylethanol 101.28
    styrene 35.23
    dioctyl adipate 54.72
    dimethyl sulfate 249.09
    ethyl butyrate 73.33
    methyl lactate 163.76
    butyl lactate 59.45
    diethyl carbonate 56.45
    propanediol butyl ether 117.66
    triethyl orthoformate 55.05
    p-tert-butyltoluene 24.89
    methyl 4-tert-butylbenzoate 93.56
    morpholine 759.87
    tert-butylamine 187.65
    n-dodecanol 29.4
    dimethoxymethane 516.59
    ethylene carbonate 192.11
    cyrene 148.16
    2-ethoxyethyl acetate 92.57
    2-ethylhexyl acetate 68.68
    1,2,4-trichlorobenzene 96.27
    4-methylpyridine 193.33
    dibutyl ether 43.0
    2,6-dimethyl-4-heptanol 44.01
    DEF 243.12
    dimethyl isosorbide 188.52
    tetrachloroethylene 163.5
    eugenol 95.64
    triacetin 87.12
    span 80 88.69
    1,4-butanediol 114.07
    1,1-dichloroethane 208.04
    2-methyl-1-pentanol 137.1
    methyl formate 355.66
    2-methyl-1-butanol 191.68
    n-decane 4.79
    butyronitrile 195.37
    3,7-dimethyl-1-octanol 55.83
    1-chlorooctane 27.25
    1-chlorotetradecane 11.55
    n-nonane 4.15
    undecane 3.83
    tert-butylcyclohexane 8.94
    cyclooctane 3.1
    cyclopentanol 298.37
    tetrahydropyran 463.39
    tert-amyl methyl ether 157.65
    2,5,8-trioxanonane 170.74
    1-hexene 38.96
    2-isopropoxyethanol 187.83
    2,2,2-trifluoroethanol 151.54
    methyl butyrate 151.83

    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