Methyl 3,4-Dimethoxybenzoate

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  • Identifiers

    CAS number
    2150-38-1

    Molecular formula
    C10H12O4

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

  • Odor profile

    Fragrance
    Sweet 78.87%
    Floral 74.84%
    Vanilla 63.73%
    Anisic 48.35%
    Powdery 47.56%
    Spicy 47.26%
    Fruity 46.66%
    Herbal 42.25%
    Green 41.34%
    Phenolic 39.29%

     

    Flavor
    Bitter 42.89%
    Sweet 41.33%
    Woody 37.52%
    Fruity 35.19%
    Floral 34.94%
    Herbal 33.44%
    Balsam 33.14%
    Powdery 30.22%
    Vanilla 27.46%
    Flower 26.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.64 (weak acid)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 113.68 ˚C est.

  • Synonyms

    • METHYL 3,4-DIMETHOXYBENZOATE
    • 2150-38-1
    • Methyl veratrate
    • Benzoic acid, 3,4-dimethoxy-, methyl ester
    • Veratric acid, methyl ester
    • 3,4-Dimethoxybenzoic acid methyl ester
    • UVN42ZC9BD
    • MFCD00008430
    • NSC-15668
    • veratric acid methyl ester
    • DTXSID1062207
    • EINECS 218-424-1
    • NSC 15668
    • AI3-20957
    • Methylveratrate
    • UNII-UVN42ZC9BD
    • bmse010230
    • methyl 3,4 dimethoxybenzoate
    • methyl 3, 4-dimethoxybenzoate
    • CHEMBL446736
    • SCHEMBL2050732
    • DTXCID9036486
    • METHYL3,4-DIMETHOXYBENZOATE
    • 3,4-dimethoxy-benzoicacimethylester
    • BCP05946
    • NSC15668
    • AKOS000277538
    • CS-W010599
    • FM29131
    • AS-59334
    • SY049313
    • M2805
    • NS00026881
    • EN300-15463
    • A10428
    • 3,4dihydroxybenzoic acid, dimethyl ether, methyl ester
    • Q63392110
    • Z18491817
    • 218-424-1

  • Applications

    Methyl 3,4-Dimethoxybenzoate (CAS 2150-38-1) is a versatile aromatic ester employed as a building block in organic synthesis and drug discovery, enabling access to veratryl/vanilloid scaffolds and other 3,4-dimethoxybenzene derivatives via high-level transformations such as hydrolysis to the corresponding acid for amide formation, electrophilic substitution/cross-coupling on the ring, or benzylic functionalization; it is also used in perfumery for its sweet, balsamic, slightly vanilla character as a modifier/fixative, in agrochemical research as an intermediate toward bioactive candidates, and in analytical/academic contexts as a reference for method development, purity assessment, spectroscopic calibration, and studies of reaction kinetics and catalysis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.78
    methanol 49.45
    isopropanol 33.18
    water 1.25
    ethyl acetate 201.4
    n-propanol 33.68
    acetone 336.78
    n-butanol 30.37
    acetonitrile 279.04
    DMF 735.33
    toluene 63.28
    isobutanol 26.5
    1,4-dioxane 297.64
    methyl acetate 212.1
    THF 536.11
    2-butanone 193.89
    n-pentanol 33.27
    sec-butanol 37.02
    n-hexane 12.06
    ethylene glycol 33.38
    NMP 857.79
    cyclohexane 22.82
    DMSO 1003.81
    n-butyl acetate 162.68
    n-octanol 22.2
    chloroform 750.7
    n-propyl acetate 153.61
    acetic acid 266.47
    dichloromethane 960.12
    cyclohexanone 323.81
    propylene glycol 21.27
    isopropyl acetate 133.33
    DMAc 557.42
    2-ethoxyethanol 158.13
    isopentanol 36.44
    n-heptane 9.23
    ethyl formate 156.88
    1,2-dichloroethane 648.83
    n-hexanol 37.84
    2-methoxyethanol 206.57
    isobutyl acetate 73.09
    tetrachloromethane 146.5
    n-pentyl acetate 76.19
    transcutol 404.74
    n-heptanol 21.35
    ethylbenzene 64.78
    MIBK 100.69
    2-propoxyethanol 133.47
    tert-butanol 81.33
    MTBE 131.7
    2-butoxyethanol 73.23
    propionic acid 120.25
    o-xylene 77.64
    formic acid 171.1
    diethyl ether 137.9
    m-xylene 56.33
    p-xylene 76.46
    chlorobenzene 187.61
    dimethyl carbonate 234.83
    n-octane 3.29
    formamide 498.52
    cyclopentanone 581.07
    2-pentanone 154.55
    anisole 222.86
    cyclopentyl methyl ether 212.6
    gamma-butyrolactone 827.41
    1-methoxy-2-propanol 132.43
    pyridine 324.0
    3-pentanone 172.05
    furfural 732.82
    n-dodecane 2.46
    diethylene glycol 128.38
    diisopropyl ether 53.69
    tert-amyl alcohol 78.93
    acetylacetone 340.59
    n-hexadecane 3.03
    acetophenone 252.72
    methyl propionate 207.02
    isopentyl acetate 137.75
    trichloroethylene 1400.4
    n-nonanol 22.48
    cyclohexanol 56.93
    benzyl alcohol 119.83
    2-ethylhexanol 38.94
    isooctanol 20.62
    dipropyl ether 75.31
    1,2-dichlorobenzene 273.72
    ethyl lactate 92.23
    propylene carbonate 369.13
    n-methylformamide 326.3
    2-pentanol 30.67
    n-pentane 9.14
    1-propoxy-2-propanol 97.52
    1-methoxy-2-propyl acetate 206.51
    2-(2-methoxypropoxy) propanol 114.37
    mesitylene 45.72
    ε-caprolactone 292.41
    p-cymene 48.46
    epichlorohydrin 872.7
    1,1,1-trichloroethane 476.34
    2-aminoethanol 42.83
    morpholine-4-carbaldehyde 632.67
    sulfolane 1222.76
    2,2,4-trimethylpentane 10.4
    2-methyltetrahydrofuran 306.04
    n-hexyl acetate 97.78
    isooctane 5.69
    2-(2-butoxyethoxy)ethanol 111.05
    sec-butyl acetate 102.83
    tert-butyl acetate 209.17
    decalin 18.59
    glycerin 69.95
    diglyme 379.86
    acrylic acid 189.83
    isopropyl myristate 42.46
    n-butyric acid 114.55
    acetyl acetate 250.2
    di(2-ethylhexyl) phthalate 44.43
    ethyl propionate 164.63
    nitromethane 1046.1
    1,2-diethoxyethane 146.77
    benzonitrile 169.99
    trioctyl phosphate 30.02
    1-bromopropane 154.76
    gamma-valerolactone 613.75
    n-decanol 16.16
    triethyl phosphate 116.99
    4-methyl-2-pentanol 24.35
    propionitrile 130.41
    vinylene carbonate 357.68
    1,1,2-trichlorotrifluoroethane 617.46
    DMS 211.35
    cumene 48.09
    2-octanol 16.36
    2-hexanone 124.45
    octyl acetate 50.62
    limonene 64.2
    1,2-dimethoxyethane 352.68
    ethyl orthosilicate 98.12
    tributyl phosphate 48.46
    diacetone alcohol 169.02
    N,N-dimethylaniline 169.97
    acrylonitrile 265.25
    aniline 120.31
    1,3-propanediol 55.17
    bromobenzene 213.2
    dibromomethane 510.9
    1,1,2,2-tetrachloroethane 864.5
    2-methyl-cyclohexyl acetate 125.99
    tetrabutyl urea 65.16
    diisobutyl methanol 28.19
    2-phenylethanol 104.36
    styrene 89.08
    dioctyl adipate 84.57
    dimethyl sulfate 571.27
    ethyl butyrate 150.58
    methyl lactate 127.96
    butyl lactate 59.74
    diethyl carbonate 137.32
    propanediol butyl ether 55.67
    triethyl orthoformate 119.54
    p-tert-butyltoluene 47.79
    methyl 4-tert-butylbenzoate 151.17
    morpholine 320.27
    tert-butylamine 49.01
    n-dodecanol 12.28
    dimethoxymethane 379.4
    ethylene carbonate 255.66
    cyrene 183.06
    2-ethoxyethyl acetate 146.59
    2-ethylhexyl acetate 117.96
    1,2,4-trichlorobenzene 331.79
    4-methylpyridine 251.5
    dibutyl ether 48.7
    2,6-dimethyl-4-heptanol 28.19
    DEF 293.28
    dimethyl isosorbide 321.11
    tetrachloroethylene 624.11
    eugenol 129.76
    triacetin 178.88
    span 80 69.12
    1,4-butanediol 30.46
    1,1-dichloroethane 344.11
    2-methyl-1-pentanol 41.35
    methyl formate 310.62
    2-methyl-1-butanol 35.19
    n-decane 4.38
    butyronitrile 93.07
    3,7-dimethyl-1-octanol 28.27
    1-chlorooctane 26.24
    1-chlorotetradecane 10.6
    n-nonane 4.02
    undecane 3.16
    tert-butylcyclohexane 13.62
    cyclooctane 9.73
    cyclopentanol 83.4
    tetrahydropyran 178.67
    tert-amyl methyl ether 119.58
    2,5,8-trioxanonane 223.94
    1-hexene 31.84
    2-isopropoxyethanol 103.08
    2,2,2-trifluoroethanol 244.73
    methyl butyrate 189.95

    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

Botanical

Name CAS Botanical Proportion
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%