Ethyl 3,4-dimethoxybenzoate

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  • Identifiers

    CAS number
    3943-77-9

    Molecular formula
    C11H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 81.45%
    Sweet 77.97%
    Vanilla 66.64%
    Powdery 51.9%
    Spicy 48.76%
    Anisic 47.25%
    Balsamic 45.05%
    Fruity 44.93%
    Aromatic 36.0%
    Woody 35.03%

     

    Flavor
    Bitter 55.02%
    Fruity 44.07%
    Balsam 37.74%
    Sweet 36.52%
    Floral 35.7%
    Powdery 26.95%
    Vanilla 26.72%
    Flower 25.71%
    Aniseed 25.33%
    Creamy 25.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.18 (neutral)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 119.86 ˚C est.

  • Synonyms

    • Ethyl 3,4-dimethoxybenzoate
    • 3943-77-9
    • Ethyl veratrate
    • Benzoic acid, 3,4-dimethoxy-, ethyl ester
    • Veratric acid, ethyl ester
    • 3,4-Dimethoxybenzoic acid ethyl ester
    • EINECS 223-526-4
    • BRN 3118897
    • MFCD00015150
    • Veratrumsaureathylester
    • Ethyl-3,4-dimethoxybenzoate
    • 4-10-00-01469 (Beilstein Handbook Reference)
    • Ethyl-3,4-dimethoxy-benzoate
    • CHEMBL452433
    • SCHEMBL1660365
    • DTXSID80192598
    • ALBB-024916
    • AKOS003263209
    • Ethyl 3,4-dimethoxybenzoate, AldrichCPR
    • AS-47188
    • DB-049415
    • CS-0085109
    • NS00030576
    • EN300-79029
    • F12527
    • Z53836602

  • Applications

    Ethyl 3,4-dimethoxybenzoate (CAS 3943-77-9) is commonly used as an aroma chemical and fragrance intermediate in perfumery, contributing vanilla-like notes and sometimes functioning as a fixative in fragrance formulations. It may also serve as a flavor intermediate in select flavor applications and as a fragrance ingredient in cosmetics and personal care products. In industrial manufacturing, it is employed as an intermediate for the synthesis of more complex aroma compounds and related specialty chemicals. The use of this ester is typically governed by formulation requirements and regulatory constraints in different regions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.65
    methanol 78.28
    isopropanol 49.88
    water 0.83
    ethyl acetate 426.33
    n-propanol 53.86
    acetone 712.59
    n-butanol 53.62
    acetonitrile 592.45
    DMF 1181.92
    toluene 121.18
    isobutanol 47.15
    1,4-dioxane 453.66
    methyl acetate 416.39
    THF 712.77
    2-butanone 388.51
    n-pentanol 61.7
    sec-butanol 60.7
    n-hexane 21.3
    ethylene glycol 47.62
    NMP 1221.53
    cyclohexane 40.61
    DMSO 1718.28
    n-butyl acetate 335.43
    n-octanol 41.45
    chloroform 1441.47
    n-propyl acetate 313.15
    acetic acid 467.65
    dichloromethane 1984.94
    cyclohexanone 593.8
    propylene glycol 31.69
    isopropyl acetate 250.99
    DMAc 887.16
    2-ethoxyethanol 247.66
    isopentanol 66.32
    n-heptane 13.3
    ethyl formate 276.91
    1,2-dichloroethane 1378.99
    n-hexanol 66.89
    2-methoxyethanol 303.62
    isobutyl acetate 146.48
    tetrachloromethane 231.79
    n-pentyl acetate 150.34
    transcutol 691.04
    n-heptanol 37.09
    ethylbenzene 117.43
    MIBK 177.94
    2-propoxyethanol 208.15
    tert-butanol 127.23
    MTBE 206.84
    2-butoxyethanol 111.63
    propionic acid 222.42
    o-xylene 132.47
    formic acid 213.66
    diethyl ether 233.92
    m-xylene 104.02
    p-xylene 151.47
    chlorobenzene 398.88
    dimethyl carbonate 371.36
    n-octane 6.15
    formamide 610.96
    cyclopentanone 935.2
    2-pentanone 303.41
    anisole 351.66
    cyclopentyl methyl ether 316.81
    gamma-butyrolactone 1304.38
    1-methoxy-2-propanol 204.63
    pyridine 524.76
    3-pentanone 329.74
    furfural 1100.04
    n-dodecane 5.35
    diethylene glycol 191.56
    diisopropyl ether 85.09
    tert-amyl alcohol 132.42
    acetylacetone 653.25
    n-hexadecane 6.65
    acetophenone 412.43
    methyl propionate 392.84
    isopentyl acetate 249.57
    trichloroethylene 2518.12
    n-nonanol 41.13
    cyclohexanol 103.46
    benzyl alcohol 199.38
    2-ethylhexanol 68.05
    isooctanol 35.08
    dipropyl ether 118.63
    1,2-dichlorobenzene 521.61
    ethyl lactate 153.78
    propylene carbonate 617.46
    n-methylformamide 505.85
    2-pentanol 55.55
    n-pentane 15.13
    1-propoxy-2-propanol 154.54
    1-methoxy-2-propyl acetate 319.49
    2-(2-methoxypropoxy) propanol 182.15
    mesitylene 82.69
    ε-caprolactone 530.18
    p-cymene 79.33
    epichlorohydrin 1329.25
    1,1,1-trichloroethane 911.14
    2-aminoethanol 63.87
    morpholine-4-carbaldehyde 868.68
    sulfolane 1847.81
    2,2,4-trimethylpentane 16.68
    2-methyltetrahydrofuran 420.98
    n-hexyl acetate 188.93
    isooctane 9.36
    2-(2-butoxyethoxy)ethanol 183.53
    sec-butyl acetate 195.59
    tert-butyl acetate 320.46
    decalin 31.44
    glycerin 99.87
    diglyme 548.39
    acrylic acid 334.63
    isopropyl myristate 78.92
    n-butyric acid 234.41
    acetyl acetate 483.16
    di(2-ethylhexyl) phthalate 78.81
    ethyl propionate 304.62
    nitromethane 1769.91
    1,2-diethoxyethane 264.61
    benzonitrile 328.06
    trioctyl phosphate 55.38
    1-bromopropane 335.96
    gamma-valerolactone 978.48
    n-decanol 30.74
    triethyl phosphate 172.34
    4-methyl-2-pentanol 42.94
    propionitrile 283.33
    vinylene carbonate 620.62
    1,1,2-trichlorotrifluoroethane 867.19
    DMS 390.58
    cumene 84.14
    2-octanol 30.1
    2-hexanone 243.96
    octyl acetate 95.27
    limonene 105.98
    1,2-dimethoxyethane 515.57
    ethyl orthosilicate 140.98
    tributyl phosphate 90.81
    diacetone alcohol 257.66
    N,N-dimethylaniline 234.54
    acrylonitrile 526.66
    aniline 206.97
    1,3-propanediol 86.35
    bromobenzene 472.92
    dibromomethane 1055.77
    1,1,2,2-tetrachloroethane 1553.59
    2-methyl-cyclohexyl acetate 203.69
    tetrabutyl urea 119.36
    diisobutyl methanol 46.29
    2-phenylethanol 163.68
    styrene 173.66
    dioctyl adipate 145.37
    dimethyl sulfate 867.75
    ethyl butyrate 257.91
    methyl lactate 205.83
    butyl lactate 113.41
    diethyl carbonate 226.48
    propanediol butyl ether 95.33
    triethyl orthoformate 176.46
    p-tert-butyltoluene 73.25
    methyl 4-tert-butylbenzoate 229.62
    morpholine 452.53
    tert-butylamine 75.4
    n-dodecanol 24.36
    dimethoxymethane 561.18
    ethylene carbonate 456.26
    cyrene 259.96
    2-ethoxyethyl acetate 252.61
    2-ethylhexyl acetate 217.53
    1,2,4-trichlorobenzene 591.56
    4-methylpyridine 469.02
    dibutyl ether 96.98
    2,6-dimethyl-4-heptanol 46.29
    DEF 498.38
    dimethyl isosorbide 435.11
    tetrachloroethylene 1067.91
    eugenol 200.88
    triacetin 313.0
    span 80 116.82
    1,4-butanediol 49.32
    1,1-dichloroethane 744.13
    2-methyl-1-pentanol 77.25
    methyl formate 487.66
    2-methyl-1-butanol 65.46
    n-decane 8.63
    butyronitrile 203.03
    3,7-dimethyl-1-octanol 54.0
    1-chlorooctane 52.72
    1-chlorotetradecane 23.15
    n-nonane 7.91
    undecane 6.53
    tert-butylcyclohexane 22.83
    cyclooctane 15.75
    cyclopentanol 126.3
    tetrahydropyran 298.21
    tert-amyl methyl ether 189.27
    2,5,8-trioxanonane 340.49
    1-hexene 64.92
    2-isopropoxyethanol 163.6
    2,2,2-trifluoroethanol 350.62
    methyl butyrate 377.36

    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
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%