Methyl 3,5-Dimethoxybenzoate

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  • Identifiers

    CAS number
    2150-37-0

    Molecular formula
    C10H12O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 67.25%
    Floral 66.45%
    Fruity 63.43%
    Vanilla 42.36%
    Powdery 39.74%
    Anisic 39.02%
    Spicy 38.07%
    Herbal 36.22%
    Green 35.75%
    Phenolic 32.35%

     

    Flavor
    Bitter 42.58%
    Fruity 37.27%
    Herbal 30.01%
    Balsam 25.94%
    Aniseed 22.45%
    Floral 22.31%
    Tarragon 21.88%
    Parsley 21.75%
    Ethyl benzoate 21.35%
    Ripe apricot 20.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.76 (weak acid)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 118.58 ˚C est.

  • Synonyms

    • Methyl 3,5-dimethoxybenzoate
    • 2150-37-0
    • Q9EZE98DK4
    • NSC-65605
    • DTXSID50175838
    • RefChem:1089362
    • DTXCID7098329
    • 218-423-6
    • 3,5-Dimethoxybenzoic acid methyl ester
    • MFCD00008432
    • Benzoic acid, 3,5-dimethoxy-, methyl ester
    • methyl 3,5-bis(methyloxy)benzoate
    • UNII-Q9EZE98DK4
    • NCIOpen2_000069
    • SCHEMBL204865
    • CHEMBL486215
    • SCHEMBL7954384
    • NSC65605
    • STR07374
    • EINECS 218-423-6
    • Methyl 3,5-dimethoxybenzoate, 99%
    • NSC 65605
    • SBB058344
    • AKOS003297515
    • CS-W009526
    • FM61761
    • 3,5-Dimethoxy-benzoic acid methyl ester
    • Benzoic acid,5-dimethoxy-, methyl ester
    • AC-23585
    • SY013742
    • DB-045597
    • D1737
    • NS00026880
    • ST45026516
    • EN300-15460
    • 50M370
    • F079004
    • Q63396416
    • Z18414741
    • 3,5-Dihydroxybenzoic acid, dimethyl ether, methyl ester
    • InChI=1/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H
    • 2150-37-0

  • Applications

    Methyl 3,5-Dimethoxybenzoate (CAS 2150-37-0) is an aromatic benzoate ester bearing methoxy groups at positions 3 and 5, primarily used as an intermediate in the synthesis of fragrance-related compounds. Typical applications include: serving as a building block for fragrance and flavor chemistry in perfumery and flavor/aroma development; used as a fragrance ingredient in cosmetics and personal care formulations; employed as a synthetic intermediate in pharmaceutical development and agrochemical research; and used as a specialty ester intermediate in coatings, inks, and other industrial formulations to support aroma-related function or as a precursor to more complex aromatic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.41
    methanol 52.55
    isopropanol 25.67
    water 1.39
    ethyl acetate 116.84
    n-propanol 25.0
    acetone 113.57
    n-butanol 20.14
    acetonitrile 125.17
    DMF 170.06
    toluene 62.05
    isobutanol 18.53
    1,4-dioxane 227.85
    methyl acetate 156.59
    THF 207.76
    2-butanone 82.44
    n-pentanol 15.16
    sec-butanol 20.4
    n-hexane 1.77
    ethylene glycol 27.67
    NMP 237.99
    cyclohexane 7.83
    DMSO 204.99
    n-butyl acetate 42.96
    n-octanol 14.62
    chloroform 322.61
    n-propyl acetate 54.69
    acetic acid 114.68
    dichloromethane 409.04
    cyclohexanone 125.91
    propylene glycol 12.59
    isopropyl acetate 53.89
    DMAc 260.19
    2-ethoxyethanol 64.73
    isopentanol 22.01
    n-heptane 2.78
    ethyl formate 95.03
    1,2-dichloroethane 207.93
    n-hexanol 18.29
    2-methoxyethanol 112.97
    isobutyl acetate 35.62
    tetrachloromethane 47.86
    n-pentyl acetate 24.66
    transcutol 104.94
    n-heptanol 13.79
    ethylbenzene 37.71
    MIBK 34.15
    2-propoxyethanol 56.55
    tert-butanol 60.84
    MTBE 54.05
    2-butoxyethanol 36.42
    propionic acid 56.67
    o-xylene 51.54
    formic acid 76.14
    diethyl ether 44.56
    m-xylene 38.01
    p-xylene 52.11
    chlorobenzene 96.49
    dimethyl carbonate 84.08
    n-octane 1.88
    formamide 161.76
    cyclopentanone 166.32
    2-pentanone 47.49
    anisole 101.98
    cyclopentyl methyl ether 68.71
    gamma-butyrolactone 257.14
    1-methoxy-2-propanol 55.38
    pyridine 204.55
    3-pentanone 55.2
    furfural 277.36
    n-dodecane 2.11
    diethylene glycol 65.4
    diisopropyl ether 14.82
    tert-amyl alcohol 40.04
    acetylacetone 115.41
    n-hexadecane 2.47
    acetophenone 104.85
    methyl propionate 90.33
    isopentyl acetate 44.01
    trichloroethylene 422.2
    n-nonanol 15.15
    cyclohexanol 36.76
    benzyl alcohol 66.48
    2-ethylhexanol 18.42
    isooctanol 13.69
    dipropyl ether 24.12
    1,2-dichlorobenzene 103.21
    ethyl lactate 30.76
    propylene carbonate 134.45
    n-methylformamide 101.58
    2-pentanol 13.25
    n-pentane 1.77
    1-propoxy-2-propanol 32.34
    1-methoxy-2-propyl acetate 59.87
    2-(2-methoxypropoxy) propanol 48.62
    mesitylene 23.24
    ε-caprolactone 115.51
    p-cymene 21.79
    epichlorohydrin 296.93
    1,1,1-trichloroethane 190.07
    2-aminoethanol 29.96
    morpholine-4-carbaldehyde 231.94
    sulfolane 229.5
    2,2,4-trimethylpentane 2.58
    2-methyltetrahydrofuran 128.94
    n-hexyl acetate 34.45
    isooctane 1.45
    2-(2-butoxyethoxy)ethanol 51.55
    sec-butyl acetate 40.91
    tert-butyl acetate 61.88
    decalin 6.81
    glycerin 35.45
    diglyme 133.39
    acrylic acid 71.77
    isopropyl myristate 19.17
    n-butyric acid 57.47
    acetyl acetate 125.77
    di(2-ethylhexyl) phthalate 24.46
    ethyl propionate 61.18
    nitromethane 318.99
    1,2-diethoxyethane 41.95
    benzonitrile 87.68
    trioctyl phosphate 14.47
    1-bromopropane 57.78
    gamma-valerolactone 224.5
    n-decanol 12.14
    triethyl phosphate 40.4
    4-methyl-2-pentanol 11.13
    propionitrile 67.78
    vinylene carbonate 145.21
    1,1,2-trichlorotrifluoroethane 206.73
    DMS 64.44
    cumene 25.83
    2-octanol 10.0
    2-hexanone 40.58
    octyl acetate 22.77
    limonene 26.05
    1,2-dimethoxyethane 140.11
    ethyl orthosilicate 36.83
    tributyl phosphate 19.11
    diacetone alcohol 58.46
    N,N-dimethylaniline 69.35
    acrylonitrile 111.31
    aniline 85.85
    1,3-propanediol 43.14
    bromobenzene 104.82
    dibromomethane 191.84
    1,1,2,2-tetrachloroethane 275.08
    2-methyl-cyclohexyl acetate 51.56
    tetrabutyl urea 27.42
    diisobutyl methanol 14.1
    2-phenylethanol 54.51
    styrene 47.61
    dioctyl adipate 34.56
    dimethyl sulfate 148.19
    ethyl butyrate 49.65
    methyl lactate 45.77
    butyl lactate 19.37
    diethyl carbonate 51.24
    propanediol butyl ether 23.01
    triethyl orthoformate 38.58
    p-tert-butyltoluene 20.93
    methyl 4-tert-butylbenzoate 64.05
    morpholine 176.88
    tert-butylamine 30.56
    n-dodecanol 10.24
    dimethoxymethane 116.77
    ethylene carbonate 110.92
    cyrene 76.08
    2-ethoxyethyl acetate 47.38
    2-ethylhexyl acetate 36.93
    1,2,4-trichlorobenzene 136.03
    4-methylpyridine 159.37
    dibutyl ether 19.15
    2,6-dimethyl-4-heptanol 14.1
    DEF 90.55
    dimethyl isosorbide 114.08
    tetrachloroethylene 190.01
    eugenol 57.53
    triacetin 58.19
    span 80 31.86
    1,4-butanediol 14.89
    1,1-dichloroethane 149.1
    2-methyl-1-pentanol 19.4
    methyl formate 120.56
    2-methyl-1-butanol 19.3
    n-decane 3.06
    butyronitrile 47.51
    3,7-dimethyl-1-octanol 16.57
    1-chlorooctane 12.95
    1-chlorotetradecane 6.91
    n-nonane 2.6
    undecane 2.48
    tert-butylcyclohexane 5.72
    cyclooctane 2.64
    cyclopentanol 45.33
    tetrahydropyran 102.58
    tert-amyl methyl ether 41.27
    2,5,8-trioxanonane 98.44
    1-hexene 8.53
    2-isopropoxyethanol 41.67
    2,2,2-trifluoroethanol 86.03
    methyl butyrate 75.07

    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