Methyl 2,3-dimethoxybenzoate

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  • Identifiers

    CAS number
    2150-42-7

    Molecular formula
    C10H12O4

    SMILES
    COC1=CC=CC(=C1OC)C(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.96%
    Floral 68.28%
    Fruity 61.58%
    Vanilla 47.48%
    Herbal 46.65%
    Anisic 44.43%
    Spicy 43.7%
    Green 42.27%
    Powdery 37.17%
    Phenolic 35.29%

     

    Flavor
    Fruity 43.43%
    Bitter 39.86%
    Herbal 32.57%
    Floral 32.32%
    Woody 29.83%
    Sweet 26.22%
    Balsam 25.16%
    Powdery 23.69%
    Flower 23.34%
    Aniseed 22.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.2 (neutral)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 112.59 ˚C est.

  • Synonyms

    • Methyl 2,3-dimethoxybenzoate
    • 2150-42-7
    • DTXSID20175840
    • EINECS 218-425-7
    • NSC 146462
    • RefChem:812923
    • DTXCID1098331
    • 218-425-7
    • Methyl o-veratrate
    • MFCD00027555
    • o-Veratric acid, methyl ester
    • 2,3-Dimethoxybenzoic acid methyl ester
    • NSC-146462
    • Benzoic acid, 2,3-dimethoxy-, methyl ester
    • METHYL2,3-DIMETHOXYBENZOATE
    • 2,3-dimethoxy-benzoic acid methyl ester
    • L245EPX4QQ
    • SCHEMBL311487
    • SCHEMBL7987985
    • CHEMBL2252122
    • SCHEMBL10671378
    • SCHEMBL11456734
    • Methyl 2,3-dimethoxybenzoate, 97%
    • NSC146462
    • SBB071487
    • STK441379
    • Methyl 2 pound not3-dimethoxybenzoate
    • AKOS003313611
    • Benzoic acid,3-dimethoxy-, methyl ester
    • ST095104
    • SY002372
    • TS-00309
    • DB-045599
    • CS-0204651
    • dimethoxy benzenecarboxylic acid methyl ester
    • NS00026882
    • E78229
    • Q63409659
    • 2150-42-7

  • Applications

    Methyl 2,3-dimethoxybenzoate (CAS 2150-42-7) is used as a fragrance ingredient and synthesis intermediate in various industrial applications. In perfumery and flavor compound synthesis, it often serves as a fragrance constituent or intermediate for aroma compounds. In cosmetics and personal care, it can be used as a fragrance component. In household cleaning products, it serves as a scent additive. In industrial manufacturing, it acts as a building block for further chemical synthesis. In pharmaceutical synthesis, it can function as an intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.75
    methanol 155.51
    isopropanol 80.46
    water 1.26
    ethyl acetate 279.14
    n-propanol 86.41
    acetone 383.15
    n-butanol 74.84
    acetonitrile 378.86
    DMF 512.71
    toluene 129.38
    isobutanol 65.38
    1,4-dioxane 545.06
    methyl acetate 347.61
    THF 497.5
    2-butanone 236.48
    n-pentanol 65.07
    sec-butanol 70.78
    n-hexane 9.47
    ethylene glycol 145.34
    NMP 375.44
    cyclohexane 38.63
    DMSO 459.54
    n-butyl acetate 124.05
    n-octanol 51.27
    chloroform 961.96
    n-propyl acetate 158.86
    acetic acid 306.6
    dichloromethane 1123.8
    cyclohexanone 351.13
    propylene glycol 52.01
    isopropyl acetate 129.53
    DMAc 332.49
    2-ethoxyethanol 228.96
    isopentanol 65.87
    n-heptane 13.55
    ethyl formate 302.12
    1,2-dichloroethane 667.37
    n-hexanol 72.96
    2-methoxyethanol 398.42
    isobutyl acetate 85.41
    tetrachloromethane 189.28
    n-pentyl acetate 88.03
    transcutol 164.38
    n-heptanol 51.49
    ethylbenzene 80.39
    MIBK 91.31
    2-propoxyethanol 179.62
    tert-butanol 130.93
    MTBE 109.29
    2-butoxyethanol 111.73
    propionic acid 165.37
    o-xylene 103.6
    formic acid 154.18
    diethyl ether 151.03
    m-xylene 93.35
    p-xylene 112.65
    chlorobenzene 239.2
    dimethyl carbonate 209.27
    n-octane 8.84
    formamide 318.73
    cyclopentanone 462.84
    2-pentanone 163.99
    anisole 173.0
    cyclopentyl methyl ether 175.83
    gamma-butyrolactone 657.01
    1-methoxy-2-propanol 174.69
    pyridine 420.5
    3-pentanone 157.37
    furfural 624.73
    n-dodecane 8.51
    diethylene glycol 227.69
    diisopropyl ether 42.77
    tert-amyl alcohol 96.38
    acetylacetone 268.43
    n-hexadecane 10.04
    acetophenone 188.29
    methyl propionate 248.85
    isopentyl acetate 104.94
    trichloroethylene 1178.33
    n-nonanol 46.69
    cyclohexanol 126.5
    benzyl alcohol 161.16
    2-ethylhexanol 57.31
    isooctanol 45.04
    dipropyl ether 69.22
    1,2-dichlorobenzene 243.7
    ethyl lactate 91.83
    propylene carbonate 334.32
    n-methylformamide 378.52
    2-pentanol 51.22
    n-pentane 10.05
    1-propoxy-2-propanol 93.34
    1-methoxy-2-propyl acetate 126.96
    2-(2-methoxypropoxy) propanol 82.16
    mesitylene 63.82
    ε-caprolactone 292.72
    p-cymene 54.16
    epichlorohydrin 724.53
    1,1,1-trichloroethane 525.22
    2-aminoethanol 114.55
    morpholine-4-carbaldehyde 426.9
    sulfolane 618.86
    2,2,4-trimethylpentane 9.95
    2-methyltetrahydrofuran 281.39
    n-hexyl acetate 108.19
    isooctane 7.13
    2-(2-butoxyethoxy)ethanol 99.26
    sec-butyl acetate 86.57
    tert-butyl acetate 127.53
    decalin 23.05
    glycerin 125.49
    diglyme 257.25
    acrylic acid 197.6
    isopropyl myristate 47.77
    n-butyric acid 188.9
    acetyl acetate 225.33
    di(2-ethylhexyl) phthalate 53.68
    ethyl propionate 143.2
    nitromethane 711.18
    1,2-diethoxyethane 98.87
    benzonitrile 226.66
    trioctyl phosphate 41.23
    1-bromopropane 177.76
    gamma-valerolactone 541.79
    n-decanol 36.3
    triethyl phosphate 81.68
    4-methyl-2-pentanol 35.19
    propionitrile 204.34
    vinylene carbonate 368.01
    1,1,2-trichlorotrifluoroethane 517.2
    DMS 141.01
    cumene 58.37
    2-octanol 37.01
    2-hexanone 118.24
    octyl acetate 61.96
    limonene 69.09
    1,2-dimethoxyethane 379.9
    ethyl orthosilicate 72.33
    tributyl phosphate 46.56
    diacetone alcohol 137.82
    N,N-dimethylaniline 118.29
    acrylonitrile 324.94
    aniline 173.95
    1,3-propanediol 156.48
    bromobenzene 259.64
    dibromomethane 601.11
    1,1,2,2-tetrachloroethane 780.3
    2-methyl-cyclohexyl acetate 98.51
    tetrabutyl urea 64.21
    diisobutyl methanol 40.04
    2-phenylethanol 131.93
    styrene 104.07
    dioctyl adipate 77.29
    dimethyl sulfate 311.54
    ethyl butyrate 115.38
    methyl lactate 124.82
    butyl lactate 62.6
    diethyl carbonate 108.79
    propanediol butyl ether 71.46
    triethyl orthoformate 86.45
    p-tert-butyltoluene 52.99
    methyl 4-tert-butylbenzoate 125.93
    morpholine 422.03
    tert-butylamine 75.46
    n-dodecanol 30.17
    dimethoxymethane 386.1
    ethylene carbonate 300.07
    cyrene 148.2
    2-ethoxyethyl acetate 121.09
    2-ethylhexyl acetate 89.08
    1,2,4-trichlorobenzene 274.67
    4-methylpyridine 302.78
    dibutyl ether 54.81
    2,6-dimethyl-4-heptanol 40.04
    DEF 224.53
    dimethyl isosorbide 183.83
    tetrachloroethylene 625.98
    eugenol 120.79
    triacetin 121.33
    span 80 67.24
    1,4-butanediol 71.04
    1,1-dichloroethane 450.2
    2-methyl-1-pentanol 61.24
    methyl formate 460.83
    2-methyl-1-butanol 62.17
    n-decane 12.74
    butyronitrile 171.0
    3,7-dimethyl-1-octanol 46.14
    1-chlorooctane 51.05
    1-chlorotetradecane 23.35
    n-nonane 11.86
    undecane 10.11
    tert-butylcyclohexane 17.88
    cyclooctane 14.16
    cyclopentanol 153.36
    tetrahydropyran 287.27
    tert-amyl methyl ether 89.46
    2,5,8-trioxanonane 159.23
    1-hexene 32.2
    2-isopropoxyethanol 129.56
    2,2,2-trifluoroethanol 206.23
    methyl butyrate 194.58

    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