Methyl 3,4-dimethoxycinnamate

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  • Identifiers

    CAS number
    5396-64-5

    Molecular formula
    C12H14O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.34%
    Fruity 69.67%
    Floral 60.44%
    Spicy 59.4%
    Vanilla 55.64%
    Balsamic 46.34%
    Powdery 45.33%
    Woody 41.89%
    Anisic 36.71%
    Warm 36.48%

     

    Flavor
    Fruity 48.8%
    Floral 34.18%
    Bitter 23.81%
    Balsam 23.42%
    Sweet 22.79%
    Powdery 21.9%
    Grape 21.52%
    Aniseed 21.36%
    Woody 20.96%
    Ethyl benzoate 20.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.46 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 127.98 ˚C est.

  • Synonyms

    • DTXSID701307082
    • RefChem:1089360
    • DTXCID701737029
    • 5396-64-5
    • Methyl 3,4-dimethoxycinnamate
    • methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
    • 3-(3,4-dimethoxyphenyl)-acrylic acid methyl ester
    • orb1944123
    • SCHEMBL2411956
    • AKOS017001243
    • FD67383
    • 3-(3,4-Dimethoxy-phenyl)-acrylic acid methyl ester
    • 5396-64-5

  • Applications

    Methyl 3,4-dimethoxycinnamate (CAS 5396-64-5) may be used as an aroma-related intermediate and fragrance ingredient in fragrance applications. In real-world contexts, it may serve as a scent component in perfumery and cosmetics/personal care; it may be used as an aroma additive in household products and cleaners; it may function as an intermediate for synthesizing other aromatic esters and specialty fragrance materials in industrial manufacturing; and it may act as a building block for aroma compounds used in coatings and inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.26
    methanol 56.12
    isopropanol 43.92
    water 0.34
    ethyl acetate 369.7
    n-propanol 39.56
    acetone 172.98
    n-butanol 33.93
    acetonitrile 166.22
    DMF 166.61
    toluene 51.92
    isobutanol 29.85
    1,4-dioxane 386.16
    methyl acetate 219.52
    THF 325.94
    2-butanone 131.14
    n-pentanol 39.17
    sec-butanol 47.0
    n-hexane 6.63
    ethylene glycol 34.1
    NMP 101.61
    cyclohexane 17.64
    DMSO 327.32
    n-butyl acetate 66.64
    n-octanol 22.54
    chloroform 442.39
    n-propyl acetate 106.55
    acetic acid 149.13
    dichloromethane 486.15
    cyclohexanone 131.6
    propylene glycol 26.34
    isopropyl acetate 105.71
    DMAc 179.78
    2-ethoxyethanol 173.38
    isopentanol 32.65
    n-heptane 8.16
    ethyl formate 128.59
    1,2-dichloroethane 314.98
    n-hexanol 36.42
    2-methoxyethanol 222.07
    isobutyl acetate 53.0
    tetrachloromethane 64.23
    n-pentyl acetate 43.6
    transcutol 183.27
    n-heptanol 23.39
    ethylbenzene 43.49
    MIBK 58.28
    2-propoxyethanol 107.51
    tert-butanol 135.67
    MTBE 94.88
    2-butoxyethanol 59.02
    propionic acid 79.91
    o-xylene 46.68
    formic acid 65.99
    diethyl ether 145.44
    m-xylene 37.38
    p-xylene 53.52
    chlorobenzene 76.22
    dimethyl carbonate 93.33
    n-octane 5.79
    formamide 151.28
    cyclopentanone 169.11
    2-pentanone 103.73
    anisole 106.31
    cyclopentyl methyl ether 103.17
    gamma-butyrolactone 240.69
    1-methoxy-2-propanol 129.35
    pyridine 174.42
    3-pentanone 100.26
    furfural 227.2
    n-dodecane 4.82
    diethylene glycol 109.39
    diisopropyl ether 32.77
    tert-amyl alcohol 89.14
    acetylacetone 180.07
    n-hexadecane 5.52
    acetophenone 96.85
    methyl propionate 187.45
    isopentyl acetate 58.77
    trichloroethylene 461.63
    n-nonanol 23.8
    cyclohexanol 56.11
    benzyl alcohol 75.86
    2-ethylhexanol 29.45
    isooctanol 22.09
    dipropyl ether 53.46
    1,2-dichlorobenzene 85.73
    ethyl lactate 55.22
    propylene carbonate 120.94
    n-methylformamide 106.02
    2-pentanol 30.8
    n-pentane 4.8
    1-propoxy-2-propanol 63.7
    1-methoxy-2-propyl acetate 84.6
    2-(2-methoxypropoxy) propanol 63.78
    mesitylene 27.6
    ε-caprolactone 138.03
    p-cymene 24.86
    epichlorohydrin 353.75
    1,1,1-trichloroethane 251.78
    2-aminoethanol 43.9
    morpholine-4-carbaldehyde 202.48
    sulfolane 218.0
    2,2,4-trimethylpentane 5.44
    2-methyltetrahydrofuran 176.65
    n-hexyl acetate 50.18
    isooctane 3.64
    2-(2-butoxyethoxy)ethanol 75.95
    sec-butyl acetate 65.2
    tert-butyl acetate 106.07
    decalin 11.76
    glycerin 59.79
    diglyme 182.61
    acrylic acid 72.91
    isopropyl myristate 26.03
    n-butyric acid 102.21
    acetyl acetate 163.41
    di(2-ethylhexyl) phthalate 26.52
    ethyl propionate 110.15
    nitromethane 367.55
    1,2-diethoxyethane 97.99
    benzonitrile 78.93
    trioctyl phosphate 18.25
    1-bromopropane 101.61
    gamma-valerolactone 237.79
    n-decanol 19.4
    triethyl phosphate 50.22
    4-methyl-2-pentanol 20.87
    propionitrile 104.02
    vinylene carbonate 130.45
    1,1,2-trichlorotrifluoroethane 217.67
    DMS 79.31
    cumene 30.98
    2-octanol 18.61
    2-hexanone 73.76
    octyl acetate 31.19
    limonene 31.69
    1,2-dimethoxyethane 290.65
    ethyl orthosilicate 46.25
    tributyl phosphate 24.31
    diacetone alcohol 97.93
    N,N-dimethylaniline 66.84
    acrylonitrile 129.39
    aniline 75.08
    1,3-propanediol 77.56
    bromobenzene 76.01
    dibromomethane 269.64
    1,1,2,2-tetrachloroethane 365.17
    2-methyl-cyclohexyl acetate 55.58
    tetrabutyl urea 32.84
    diisobutyl methanol 23.29
    2-phenylethanol 57.98
    styrene 51.1
    dioctyl adipate 42.07
    dimethyl sulfate 130.72
    ethyl butyrate 73.17
    methyl lactate 69.89
    butyl lactate 31.48
    diethyl carbonate 64.11
    propanediol butyl ether 39.03
    triethyl orthoformate 56.31
    p-tert-butyltoluene 24.37
    methyl 4-tert-butylbenzoate 63.13
    morpholine 304.32
    tert-butylamine 60.3
    n-dodecanol 16.75
    dimethoxymethane 223.9
    ethylene carbonate 115.14
    cyrene 83.82
    2-ethoxyethyl acetate 79.72
    2-ethylhexyl acetate 47.79
    1,2,4-trichlorobenzene 98.86
    4-methylpyridine 123.04
    dibutyl ether 38.42
    2,6-dimethyl-4-heptanol 23.29
    DEF 122.09
    dimethyl isosorbide 118.69
    tetrachloroethylene 242.25
    eugenol 64.38
    triacetin 69.05
    span 80 41.61
    1,4-butanediol 35.69
    1,1-dichloroethane 223.35
    2-methyl-1-pentanol 37.63
    methyl formate 121.94
    2-methyl-1-butanol 31.44
    n-decane 7.58
    butyronitrile 80.88
    3,7-dimethyl-1-octanol 24.13
    1-chlorooctane 23.44
    1-chlorotetradecane 12.36
    n-nonane 7.14
    undecane 5.84
    tert-butylcyclohexane 9.37
    cyclooctane 7.16
    cyclopentanol 62.38
    tetrahydropyran 198.12
    tert-amyl methyl ether 72.94
    2,5,8-trioxanonane 130.24
    1-hexene 22.33
    2-isopropoxyethanol 106.05
    2,2,2-trifluoroethanol 92.32
    methyl butyrate 123.03

    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