Methyl 3,4,5-trimethoxycinnamate

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  • Identifiers

    CAS number
    20329-96-8

    Molecular formula
    C13H16O5

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 66.4%
    Floral 58.53%
    Sweet 58.3%
    Spicy 52.09%
    Vanilla 44.15%
    Woody 40.07%
    Powdery 37.15%
    Balsamic 36.71%
    Berry 31.92%
    Warm 31.05%

     

    Flavor
    Fruity 38.13%
    Bitter 33.72%
    Parsley 21.55%
    Aniseed 20.59%
    Ethyl benzoate 20.26%
    Tarragon 19.92%
    Odorless 19.89%
    Heather 19.87%
    Broom 19.6%
    Genet 19.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.6 (neutral)

    Molecular weight
    252.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Melting point expt.

    • 99 - 100 °C

    Flash point

    • 134.81 ˚C est.

  • Synonyms

    • Methyl 3,4,5-trimethoxycinnamate
    • DTXSID001289631
    • Methyl (E)-3,4,5-trimethoxycinnamate
    • RefChem:814643
    • DTXCID501720252
    • 672-252-5
    • 20329-96-8
    • 7560-49-8
    • methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
    • methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
    • 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)-
    • 3,4,5-Trimethoxybenzeneacrylic acid methyl ester
    • MFCD03614740
    • Methyl trans-3,4,5-trimethoxycinnamate
    • (E)-Methyl 3-(3,4,5-trimethoxyphenyl)acrylate
    • Cinnamic acid, 3,4,5-trimethoxy-, methyl ester
    • Methyl trans-3-(3,4,5-trimethoxyphenyl)acrylate
    • methyl-3,4,5-trimethoxy cinnamate
    • NSC648088
    • Methyl 3-(3,4,5-trimethoxyphenyl)acrylate
    • 3,4,5-trimethoxycinnamic acid methyl ester
    • Methyl 3,4,5-Trimethoxycinnamate (>85%)
    • Methyl (2E)-3-(3,4,5-trimethoxyphenyl)acrylate
    • Methyl 3,4,5-trimethyoxycinnamate
    • (E)-Methyl 3,4,5-trimethoxycinnamate
    • 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester
    • bmse010223
    • Methyl 3-(3,4,5-trimethoxyphenyl)-2-propenoate; NSC 648088
    • orb1984177
    • SCHEMBL2433925
    • CHEMBL1991500
    • CHEBI:86898
    • HY-N3289A
    • HY-N3289
    • methyl (3,4,5-trimethoxy)cinnamate
    • SBB053750
    • AKOS003307574
    • CCG-214455
    • FM70502
    • MS-8964
    • NSC-648088
    • DA-65395
    • ST092966
    • 3,4,5-trimethoxy cinnamic acid methyl ester
    • CS-0023816
    • PK04_181140
    • (E)-Methyl3-(3,4,5-trimethoxyphenyl)acrylate
    • H10856
    • Methyl ester of 3,4,5-Trimethoxycinnamic acid
    • EN300-1588614
    • (E)-methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
    • Q27159282
    • Methyl (2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoate #
    • 2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-,methyl ester,(2E)-
    • 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, trans
    • 7560-49-8

  • Applications

    Methyl 3,4,5-trimethoxycinnamate (CAS 20329-96-8) is typically used as an intermediate in fragrance chemistry and as a fragrance ingredient in cosmetic and personal care formulations. It may serve as a precursor for aroma compounds in flavor applications. In industrial product formulations, it can function as a specialty fragrance additive for coatings and inks. It may also be used as a starting material for synthesizing aroma-active cinnamate derivatives for polymer and plastics formulations, and as a fragrance component in adhesives and cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.27
    methanol 75.32
    isopropanol 42.03
    water 0.31
    ethyl acetate 302.91
    n-propanol 45.2
    acetone 296.48
    n-butanol 36.17
    acetonitrile 194.33
    DMF 308.1
    toluene 44.21
    isobutanol 32.75
    1,4-dioxane 420.64
    methyl acetate 256.7
    THF 392.19
    2-butanone 175.04
    n-pentanol 42.42
    sec-butanol 44.75
    n-hexane 3.43
    ethylene glycol 47.57
    NMP 189.13
    cyclohexane 12.89
    DMSO 521.62
    n-butyl acetate 86.04
    n-octanol 30.81
    chloroform 455.86
    n-propyl acetate 128.71
    acetic acid 180.52
    dichloromethane 546.85
    cyclohexanone 206.53
    propylene glycol 30.88
    isopropyl acetate 106.45
    DMAc 256.08
    2-ethoxyethanol 237.03
    isopentanol 34.28
    n-heptane 5.41
    ethyl formate 212.01
    1,2-dichloroethane 373.55
    n-hexanol 42.15
    2-methoxyethanol 312.77
    isobutyl acetate 62.46
    tetrachloromethane 74.78
    n-pentyl acetate 65.01
    transcutol 171.6
    n-heptanol 29.62
    ethylbenzene 36.59
    MIBK 64.66
    2-propoxyethanol 141.39
    tert-butanol 80.3
    MTBE 67.65
    2-butoxyethanol 81.77
    propionic acid 93.08
    o-xylene 39.75
    formic acid 91.38
    diethyl ether 97.98
    m-xylene 32.27
    p-xylene 50.0
    chlorobenzene 105.23
    dimethyl carbonate 127.18
    n-octane 4.91
    formamide 190.1
    cyclopentanone 278.3
    2-pentanone 127.3
    anisole 102.31
    cyclopentyl methyl ether 108.44
    gamma-butyrolactone 407.79
    1-methoxy-2-propanol 148.47
    pyridine 228.19
    3-pentanone 108.35
    furfural 359.07
    n-dodecane 5.04
    diethylene glycol 164.55
    diisopropyl ether 23.43
    tert-amyl alcohol 61.68
    acetylacetone 248.36
    n-hexadecane 5.89
    acetophenone 117.75
    methyl propionate 199.52
    isopentyl acetate 69.92
    trichloroethylene 606.62
    n-nonanol 30.63
    cyclohexanol 61.22
    benzyl alcohol 94.47
    2-ethylhexanol 34.58
    isooctanol 27.05
    dipropyl ether 43.98
    1,2-dichlorobenzene 111.24
    ethyl lactate 76.81
    propylene carbonate 201.47
    n-methylformamide 208.05
    2-pentanol 26.91
    n-pentane 3.03
    1-propoxy-2-propanol 75.28
    1-methoxy-2-propyl acetate 108.09
    2-(2-methoxypropoxy) propanol 68.19
    mesitylene 22.57
    ε-caprolactone 203.03
    p-cymene 25.2
    epichlorohydrin 485.17
    1,1,1-trichloroethane 269.51
    2-aminoethanol 53.76
    morpholine-4-carbaldehyde 294.44
    sulfolane 361.55
    2,2,4-trimethylpentane 3.71
    2-methyltetrahydrofuran 206.47
    n-hexyl acetate 70.61
    isooctane 2.62
    2-(2-butoxyethoxy)ethanol 88.28
    sec-butyl acetate 67.03
    tert-butyl acetate 104.89
    decalin 9.86
    glycerin 74.05
    diglyme 217.16
    acrylic acid 100.33
    isopropyl myristate 31.79
    n-butyric acid 118.07
    acetyl acetate 176.75
    di(2-ethylhexyl) phthalate 35.95
    ethyl propionate 118.44
    nitromethane 497.69
    1,2-diethoxyethane 94.14
    benzonitrile 117.02
    trioctyl phosphate 26.79
    1-bromopropane 93.73
    gamma-valerolactone 375.63
    n-decanol 24.89
    triethyl phosphate 57.38
    4-methyl-2-pentanol 19.97
    propionitrile 99.84
    vinylene carbonate 209.48
    1,1,2-trichlorotrifluoroethane 328.01
    DMS 100.96
    cumene 27.85
    2-octanol 22.98
    2-hexanone 93.88
    octyl acetate 43.18
    limonene 33.53
    1,2-dimethoxyethane 373.41
    ethyl orthosilicate 48.85
    tributyl phosphate 32.64
    diacetone alcohol 110.04
    N,N-dimethylaniline 65.97
    acrylonitrile 157.98
    aniline 75.4
    1,3-propanediol 91.98
    bromobenzene 102.16
    dibromomethane 293.18
    1,1,2,2-tetrachloroethane 438.38
    2-methyl-cyclohexyl acetate 65.34
    tetrabutyl urea 44.91
    diisobutyl methanol 22.25
    2-phenylethanol 78.7
    styrene 45.26
    dioctyl adipate 52.01
    dimethyl sulfate 187.74
    ethyl butyrate 79.09
    methyl lactate 92.41
    butyl lactate 46.38
    diethyl carbonate 71.48
    propanediol butyl ether 57.09
    triethyl orthoformate 58.0
    p-tert-butyltoluene 23.98
    methyl 4-tert-butylbenzoate 78.96
    morpholine 341.24
    tert-butylamine 36.59
    n-dodecanol 20.93
    dimethoxymethane 312.01
    ethylene carbonate 180.54
    cyrene 104.82
    2-ethoxyethyl acetate 103.91
    2-ethylhexyl acetate 57.29
    1,2,4-trichlorobenzene 128.71
    4-methylpyridine 170.45
    dibutyl ether 40.7
    2,6-dimethyl-4-heptanol 22.25
    DEF 170.45
    dimethyl isosorbide 126.71
    tetrachloroethylene 316.38
    eugenol 81.86
    triacetin 85.83
    span 80 51.56
    1,4-butanediol 49.41
    1,1-dichloroethane 232.9
    2-methyl-1-pentanol 39.85
    methyl formate 249.18
    2-methyl-1-butanol 32.1
    n-decane 7.54
    butyronitrile 91.8
    3,7-dimethyl-1-octanol 28.53
    1-chlorooctane 28.23
    1-chlorotetradecane 15.09
    n-nonane 6.8
    undecane 6.01
    tert-butylcyclohexane 7.19
    cyclooctane 5.24
    cyclopentanol 73.55
    tetrahydropyran 185.27
    tert-amyl methyl ether 55.68
    2,5,8-trioxanonane 143.5
    1-hexene 15.64
    2-isopropoxyethanol 121.01
    2,2,2-trifluoroethanol 122.39
    methyl butyrate 154.96

    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