Methyl 2,5-dimethoxybenzoate

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  • Identifiers

    CAS number
    2150-40-5

    Molecular formula
    C10H12O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 74.26%
    Floral 70.7%
    Fruity 64.34%
    Herbal 50.25%
    Anisic 49.21%
    Green 44.75%
    Vanilla 42.16%
    Spicy 41.97%
    Powdery 37.0%
    Aromatic 33.16%

     

    Flavor
    Bitter 47.19%
    Fruity 41.94%
    Herbal 34.25%
    Floral 31.21%
    Balsam 27.35%
    Woody 23.46%
    Aniseed 22.74%
    Sweet 22.65%
    Tarragon 22.14%
    Parsley 21.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.75 (weak acid)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 119.97 ˚C est.

  • Synonyms

    • methyl 2,5-dimethoxybenzoate
    • 2150-40-5
    • DTXSID00374935
    • RefChem:812958
    • DTXCID80325965
    • 661-799-5
    • MFCD00060624
    • 2,5-dimethoxybenzoic acid methyl ester
    • SCHEMBL2091287
    • SCHEMBL2091289
    • CHEMBL2252253
    • Methyl 2,5-dimethoxybenzoate #
    • AKAPOSLZQKGWGT-UHFFFAOYSA-N
    • AKOS005151300
    • 2,5-dimethoxy-benzoic acid methyl ester
    • Benzoic acid,2,5-dimethoxy-,methyl ester
    • SY253219
    • Gentisic acid, dimethyl ether, methyl ester
    • CS-0433784
    • ST50411042
    • F71842
    • Q63391642
    • 2150-40-5

  • Applications

    Methyl 2,5-dimethoxybenzoate is primarily used as an intermediate in organic synthesis; in practice, it may serve as a fragrance intermediate for aroma design and as a precursor to aroma compounds, can be considered a fragrance component or synthesis intermediate in cosmetics and personal care, may function as an intermediate in pharmaceutical synthesis, and acts as a building block for specialty esters used in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.55
    methanol 51.5
    isopropanol 27.15
    water 0.69
    ethyl acetate 121.49
    n-propanol 26.25
    acetone 114.32
    n-butanol 22.74
    acetonitrile 115.58
    DMF 149.38
    toluene 80.95
    isobutanol 20.42
    1,4-dioxane 251.09
    methyl acetate 146.91
    THF 240.33
    2-butanone 83.84
    n-pentanol 17.72
    sec-butanol 21.11
    n-hexane 2.56
    ethylene glycol 27.49
    NMP 238.19
    cyclohexane 12.35
    DMSO 179.89
    n-butyl acetate 49.71
    n-octanol 14.84
    chloroform 380.3
    n-propyl acetate 57.37
    acetic acid 121.7
    dichloromethane 455.68
    cyclohexanone 139.68
    propylene glycol 11.52
    isopropyl acetate 58.25
    DMAc 201.9
    2-ethoxyethanol 65.41
    isopentanol 25.04
    n-heptane 3.86
    ethyl formate 94.78
    1,2-dichloroethane 245.37
    n-hexanol 22.62
    2-methoxyethanol 118.69
    isobutyl acetate 38.41
    tetrachloromethane 60.89
    n-pentyl acetate 27.97
    transcutol 106.58
    n-heptanol 15.53
    ethylbenzene 43.3
    MIBK 38.82
    2-propoxyethanol 64.22
    tert-butanol 63.91
    MTBE 57.51
    2-butoxyethanol 39.19
    propionic acid 56.29
    o-xylene 58.11
    formic acid 68.95
    diethyl ether 55.71
    m-xylene 47.1
    p-xylene 57.21
    chlorobenzene 115.02
    dimethyl carbonate 86.47
    n-octane 2.3
    formamide 140.1
    cyclopentanone 181.12
    2-pentanone 55.68
    anisole 105.29
    cyclopentyl methyl ether 80.43
    gamma-butyrolactone 267.63
    1-methoxy-2-propanol 56.77
    pyridine 217.87
    3-pentanone 62.57
    furfural 279.94
    n-dodecane 2.53
    diethylene glycol 72.75
    diisopropyl ether 18.31
    tert-amyl alcohol 39.66
    acetylacetone 121.05
    n-hexadecane 3.0
    acetophenone 103.51
    methyl propionate 94.3
    isopentyl acetate 49.89
    trichloroethylene 473.04
    n-nonanol 15.16
    cyclohexanol 44.51
    benzyl alcohol 67.91
    2-ethylhexanol 21.58
    isooctanol 15.29
    dipropyl ether 29.12
    1,2-dichlorobenzene 119.85
    ethyl lactate 30.8
    propylene carbonate 138.97
    n-methylformamide 94.92
    2-pentanol 14.97
    n-pentane 2.62
    1-propoxy-2-propanol 35.74
    1-methoxy-2-propyl acetate 63.54
    2-(2-methoxypropoxy) propanol 47.76
    mesitylene 29.32
    ε-caprolactone 127.15
    p-cymene 25.04
    epichlorohydrin 315.99
    1,1,1-trichloroethane 217.9
    2-aminoethanol 28.62
    morpholine-4-carbaldehyde 221.79
    sulfolane 244.26
    2,2,4-trimethylpentane 3.58
    2-methyltetrahydrofuran 147.96
    n-hexyl acetate 37.71
    isooctane 2.12
    2-(2-butoxyethoxy)ethanol 50.81
    sec-butyl acetate 42.13
    tert-butyl acetate 68.75
    decalin 8.95
    glycerin 34.92
    diglyme 131.47
    acrylic acid 71.46
    isopropyl myristate 20.49
    n-butyric acid 61.85
    acetyl acetate 130.93
    di(2-ethylhexyl) phthalate 25.93
    ethyl propionate 64.1
    nitromethane 281.67
    1,2-diethoxyethane 46.88
    benzonitrile 91.17
    trioctyl phosphate 15.84
    1-bromopropane 72.28
    gamma-valerolactone 225.33
    n-decanol 12.28
    triethyl phosphate 43.44
    4-methyl-2-pentanol 12.8
    propionitrile 69.08
    vinylene carbonate 148.22
    1,1,2-trichlorotrifluoroethane 217.59
    DMS 67.77
    cumene 28.45
    2-octanol 10.59
    2-hexanone 43.88
    octyl acetate 23.92
    limonene 31.22
    1,2-dimethoxyethane 137.48
    ethyl orthosilicate 39.97
    tributyl phosphate 20.92
    diacetone alcohol 63.67
    N,N-dimethylaniline 68.56
    acrylonitrile 107.31
    aniline 94.23
    1,3-propanediol 45.69
    bromobenzene 127.74
    dibromomethane 229.14
    1,1,2,2-tetrachloroethane 314.82
    2-methyl-cyclohexyl acetate 54.11
    tetrabutyl urea 29.87
    diisobutyl methanol 16.54
    2-phenylethanol 60.64
    styrene 55.39
    dioctyl adipate 35.53
    dimethyl sulfate 139.65
    ethyl butyrate 56.0
    methyl lactate 44.81
    butyl lactate 20.56
    diethyl carbonate 55.12
    propanediol butyl ether 22.55
    triethyl orthoformate 43.22
    p-tert-butyltoluene 24.37
    methyl 4-tert-butylbenzoate 65.43
    morpholine 200.34
    tert-butylamine 34.65
    n-dodecanol 10.51
    dimethoxymethane 125.24
    ethylene carbonate 116.33
    cyrene 78.21
    2-ethoxyethyl acetate 49.64
    2-ethylhexyl acetate 43.12
    1,2,4-trichlorobenzene 147.87
    4-methylpyridine 163.32
    dibutyl ether 21.27
    2,6-dimethyl-4-heptanol 16.54
    DEF 93.69
    dimethyl isosorbide 114.51
    tetrachloroethylene 220.2
    eugenol 58.4
    triacetin 56.57
    span 80 33.01
    1,4-butanediol 15.79
    1,1-dichloroethane 171.13
    2-methyl-1-pentanol 21.76
    methyl formate 110.77
    2-methyl-1-butanol 21.85
    n-decane 3.63
    butyronitrile 52.4
    3,7-dimethyl-1-octanol 17.62
    1-chlorooctane 14.97
    1-chlorotetradecane 7.94
    n-nonane 3.16
    undecane 2.96
    tert-butylcyclohexane 7.42
    cyclooctane 4.03
    cyclopentanol 52.8
    tetrahydropyran 127.38
    tert-amyl methyl ether 43.59
    2,5,8-trioxanonane 97.0
    1-hexene 11.14
    2-isopropoxyethanol 42.16
    2,2,2-trifluoroethanol 81.52
    methyl butyrate 75.66

    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