Methyl 3-methoxybenzoate

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  • Identifiers

    CAS number
    5368-81-0

    Molecular formula
    C9H10O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.64%
    Floral 72.91%
    Fruity 66.28%
    Anisic 55.95%
    Herbal 46.38%
    Cherry 45.89%
    Vanilla 45.82%
    Powdery 41.98%
    Phenolic 38.86%
    Spicy 38.29%

     

    Flavor
    Herbal 55.55%
    Balsam 50.05%
    Fruity 49.45%
    Sweet 42.4%
    Floral 41.23%
    Wintergreen 34.18%
    Tobacco 33.0%
    Powdery 29.84%
    Minty 28.75%
    Bitter 27.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.58 (weak acid)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 106.25 ˚C est.

  • Synonyms

    • Methyl 3-methoxybenzoate
    • Methyl m-anisate
    • 3-Methoxybenzoic acid methyl ester
    • Benzoic acid, 3-methoxy-, methyl ester
    • EINECS 226-359-5
    • NSC 100922
    • 3-CH3O-C6H4-COOCH3
    • DTXSID40201918
    • m-Methoxybenzoic acid, methyl ester
    • Methyl ester of m-Methoxybenzoic acid
    • RefChem:157505
    • DTXCID70124409
    • Benzoic acid, 3-methoxy-, methyl ester (9CI)
    • 226-359-5
    • DUKYPQBGYRJVAN-UHFFFAOYSA-N
    • InChI=1/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H
    • 5368-81-0
    • m-Anisic acid, methyl ester
    • Methyl m-methoxybenzoate
    • m-Methoxybenzoic acid methyl ester
    • MFCD00017193
    • 3-Methoxybenoic acid methyl ester
    • m-Anisic Acid Methyl Ester
    • NCIOpen2_001837
    • SCHEMBL384913
    • SCHEMBL1637879
    • SCHEMBL2096026
    • SCHEMBL3964444
    • SCHEMBL4284172
    • SCHEMBL6970519
    • CHEMBL2252126
    • Methyl 3-methoxybenzoate, 97%
    • SCHEMBL27556890
    • SCHEMBL29702092
    • 3-methoxy-benzoic acid methyl ester
    • BB_SC-02898
    • BBL027833
    • NSC100922
    • SBB063351
    • STK095096
    • AKOS003596613
    • CS-W001586
    • FM37114
    • NSC-100922
    • s11984
    • AS-11245
    • ST092329
    • SY049891
    • A1380
    • NS00032812
    • EN300-263440
    • 368M810
    • F239390
    • Q63392720
    • Z18352701
    • 5368-81-0

  • Applications

    Methyl 3-methoxybenzoate (CAS 5368-81-0) is primarily used as an aroma compound in perfumery and as a flavor note in select food formulations, contributing a delicate floral character typical of methoxybenzoate derivatives. It is used as a fragrance ingredient in cosmetics and personal care products (such as soaps and lotions) and in household and cleaning products (air fresheners, detergents) to provide its distinctive scent. In industrial manufacturing, it serves as an intermediate in the synthesis of other fragrance compounds and aroma chemicals. It may also be evaluated as a building block for the production of specialty esters and related aroma materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.34
    methanol 125.03
    isopropanol 70.55
    water 2.35
    ethyl acetate 240.28
    n-propanol 73.4
    acetone 214.71
    n-butanol 67.24
    acetonitrile 290.7
    DMF 244.04
    toluene 134.79
    isobutanol 58.86
    1,4-dioxane 445.86
    methyl acetate 269.29
    THF 323.15
    2-butanone 180.55
    n-pentanol 52.82
    sec-butanol 65.6
    n-hexane 7.08
    ethylene glycol 52.91
    NMP 249.15
    cyclohexane 21.76
    DMSO 241.44
    n-butyl acetate 89.85
    n-octanol 34.62
    chloroform 683.75
    n-propyl acetate 119.19
    acetic acid 238.55
    dichloromethane 781.42
    cyclohexanone 215.03
    propylene glycol 26.11
    isopropyl acetate 121.31
    DMAc 288.98
    2-ethoxyethanol 167.29
    isopentanol 76.08
    n-heptane 8.43
    ethyl formate 146.1
    1,2-dichloroethane 448.93
    n-hexanol 50.73
    2-methoxyethanol 252.93
    isobutyl acetate 75.42
    tetrachloromethane 97.68
    n-pentyl acetate 56.2
    transcutol 311.1
    n-heptanol 34.02
    ethylbenzene 83.9
    MIBK 87.88
    2-propoxyethanol 115.42
    tert-butanol 181.73
    MTBE 161.56
    2-butoxyethanol 82.96
    propionic acid 117.12
    o-xylene 99.3
    formic acid 137.25
    diethyl ether 159.2
    m-xylene 89.93
    p-xylene 105.44
    chlorobenzene 167.19
    dimethyl carbonate 124.58
    n-octane 5.37
    formamide 292.46
    cyclopentanone 253.02
    2-pentanone 116.72
    anisole 199.27
    cyclopentyl methyl ether 134.29
    gamma-butyrolactone 336.97
    1-methoxy-2-propanol 125.94
    pyridine 317.93
    3-pentanone 125.4
    furfural 361.67
    n-dodecane 5.32
    diethylene glycol 121.81
    diisopropyl ether 47.44
    tert-amyl alcohol 126.37
    acetylacetone 212.85
    n-hexadecane 6.2
    acetophenone 169.64
    methyl propionate 161.12
    isopentyl acetate 91.14
    trichloroethylene 849.87
    n-nonanol 34.44
    cyclohexanol 87.13
    benzyl alcohol 125.52
    2-ethylhexanol 42.96
    isooctanol 32.4
    dipropyl ether 57.72
    1,2-dichlorobenzene 174.8
    ethyl lactate 57.47
    propylene carbonate 178.95
    n-methylformamide 163.78
    2-pentanol 47.62
    n-pentane 7.92
    1-propoxy-2-propanol 66.1
    1-methoxy-2-propyl acetate 99.54
    2-(2-methoxypropoxy) propanol 96.8
    mesitylene 58.1
    ε-caprolactone 189.72
    p-cymene 43.05
    epichlorohydrin 469.2
    1,1,1-trichloroethane 378.4
    2-aminoethanol 71.41
    morpholine-4-carbaldehyde 318.92
    sulfolane 311.64
    2,2,4-trimethylpentane 9.72
    2-methyltetrahydrofuran 229.12
    n-hexyl acetate 79.97
    isooctane 6.02
    2-(2-butoxyethoxy)ethanol 110.46
    sec-butyl acetate 90.03
    tert-butyl acetate 141.72
    decalin 16.89
    glycerin 67.64
    diglyme 273.82
    acrylic acid 135.66
    isopropyl myristate 40.18
    n-butyric acid 131.68
    acetyl acetate 217.34
    di(2-ethylhexyl) phthalate 43.15
    ethyl propionate 119.47
    nitromethane 508.51
    1,2-diethoxyethane 113.87
    benzonitrile 151.66
    trioctyl phosphate 26.75
    1-bromopropane 146.26
    gamma-valerolactone 311.61
    n-decanol 27.18
    triethyl phosphate 66.07
    4-methyl-2-pentanol 37.68
    propionitrile 175.07
    vinylene carbonate 197.87
    1,1,2-trichlorotrifluoroethane 295.95
    DMS 112.47
    cumene 55.06
    2-octanol 25.78
    2-hexanone 94.17
    octyl acetate 45.87
    limonene 52.02
    1,2-dimethoxyethane 291.26
    ethyl orthosilicate 61.72
    tributyl phosphate 35.55
    diacetone alcohol 128.75
    N,N-dimethylaniline 126.12
    acrylonitrile 250.91
    aniline 160.93
    1,3-propanediol 105.77
    bromobenzene 185.63
    dibromomethane 389.01
    1,1,2,2-tetrachloroethane 509.05
    2-methyl-cyclohexyl acetate 83.76
    tetrabutyl urea 48.34
    diisobutyl methanol 33.2
    2-phenylethanol 95.86
    styrene 110.9
    dioctyl adipate 63.5
    dimethyl sulfate 175.73
    ethyl butyrate 91.11
    methyl lactate 71.97
    butyl lactate 39.92
    diethyl carbonate 83.13
    propanediol butyl ether 53.53
    triethyl orthoformate 69.5
    p-tert-butyltoluene 41.95
    methyl 4-tert-butylbenzoate 110.27
    morpholine 353.66
    tert-butylamine 100.67
    n-dodecanol 22.19
    dimethoxymethane 213.16
    ethylene carbonate 156.66
    cyrene 123.41
    2-ethoxyethyl acetate 96.39
    2-ethylhexyl acetate 75.74
    1,2,4-trichlorobenzene 206.22
    4-methylpyridine 254.52
    dibutyl ether 51.39
    2,6-dimethyl-4-heptanol 33.2
    DEF 165.48
    dimethyl isosorbide 183.48
    tetrachloroethylene 378.32
    eugenol 105.8
    triacetin 106.09
    span 80 60.32
    1,4-butanediol 38.76
    1,1-dichloroethane 338.55
    2-methyl-1-pentanol 63.78
    methyl formate 161.0
    2-methyl-1-butanol 67.49
    n-decane 8.02
    butyronitrile 123.16
    3,7-dimethyl-1-octanol 40.09
    1-chlorooctane 32.33
    1-chlorotetradecane 16.12
    n-nonane 7.21
    undecane 6.31
    tert-butylcyclohexane 14.66
    cyclooctane 8.26
    cyclopentanol 85.01
    tetrahydropyran 221.92
    tert-amyl methyl ether 115.29
    2,5,8-trioxanonane 186.63
    1-hexene 31.38
    2-isopropoxyethanol 109.01
    2,2,2-trifluoroethanol 144.66
    methyl butyrate 139.23

    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