3,4,5-Trimethoxycinnamic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    90-50-6

    Molecular formula
    C12H14O5

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Vanilla 49.63%
    Sweet 43.96%
    Spicy 43.65%
    Balsamic 41.78%
    Creamy 33.85%
    Odorless 33.01%
    Powdery 31.67%
    Phenolic 31.0%
    Caramellic 30.39%
    Fruity 29.35%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    238.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Melting point expt.

    • 126 - 128 °C

    Flash point est.
    167.15 ˚C

  • Synonyms

    • 3,4,5-TRIMETHOXYCINNAMIC ACID
    • 20329-98-0
    • 90-50-6
    • O-Methylsinapic acid
    • 3,4,5-Trimethoxyphenylacrylic acid
    • 3-(3,4,5-trimethoxyphenyl)acrylic acid
    • (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid
    • SINAPIC ACID METHYL ETHER
    • NSC 66175
    • 3,4,5-Trimethoxy-trans-cinnamic acid
    • (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
    • (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
    • 3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid
    • 3,4,5-Trimethoxy cinnamic acid
    • 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (2E)-
    • 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-
    • Cinnamic acid, 3,4,5-trimethoxy-
    • EINECS 201-999-8
    • MFCD00004388
    • BRN 1537834
    • NSC-66175
    • trans-3,4,5-Trimethoxycinnamic acid
    • C9096D920O
    • Cinnamic acid, 3,4,5-trimethoxy-, (E)-
    • CHEBI:566519
    • 2-10-00-00354 (Beilstein Handbook Reference)
    • NSC66175
    • (e)-3,4,5-trimethoxycinnamic acid
    • 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (E)-
    • 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
    • SMR000371917
    • (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid
    • DTXSID7059010
    • O-Methylsinapate
    • Spectrum5_000448
    • bmse010224
    • 3,5-Trimethoxycinnamic acid
    • 3,4,5-Trimethoxy cinnamate
    • BSPBio_002796
    • SPECTRUM290032
    • MLS000757621
    • MLS002207275
    • SCHEMBL207441
    • CHEMBL501235
    • Cinnamic acid,4,5-trimethoxy-
    • 3,4,5-Trimethoxyphenylacrylate
    • DTXCID4048692
    • UNII-C9096D920O
    • MSK2650
    • CHEBI:228320
    • BDBM232204
    • DTXSID701298647
    • HMS2232E22
    • HMS3886I07
    • 3, 4, 5-Trimethoxycinnamic Acid
    • ALBB-007558
    • BBL011951
    • CCG-39479
    • s4961
    • STK500969
    • AKOS000120453
    • 3,4,5-Trimethoxycinnamic acid, 97%
    • BS-4465
    • CS-W012839
    • FT71389
    • HY-W012123
    • SDCCGMLS-0066950.P001
    • 3,4,5-Trimethoxycinnamic acid (TMCA)
    • NCGC00095563-01
    • NCGC00095563-02
    • 2-Propenoic acid,4,5-trimethoxyphenyl)-
    • AC-16693
    • AC-24565
    • AC-34784
    • AS-11999
    • DA-60204
    • 3-(3,4,5-Trimethoxyphenyl)propenoic acid
    • (E)-3-(3,4,5-trimethoxyphenyl)acrylicacid
    • 3,4,5-Trimethoxycinnamic acid, pred. trans
    • 3-(3,5-Trimethoxyphenyl)-2-propenoic acid
    • NS00039362
    • T1104
    • EN300-16919
    • (E)-3-(3,4,5-trimethoxyphenyl) acrylic acid
    • A10221
    • EN300-832999
    • AS-871/13102032
    • SR-01000773278
    • 3,4,5-Trimethoxycinnamic acid, predominantly trans
    • SR-01000773278-2
    • BRD-K63758740-001-02-3
    • Q30061098
    • F3284-8534
    • Z2315575393
    • 646E4CC1-F441-40D8-B1BB-87A43D1B3600
    • 3,4,5-Trimethoxycinnamic acid, analytical reference material
    • 201-999-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.33
    methanol 66.21
    isopropanol 19.13
    water 0.46
    ethyl acetate 34.23
    n-propanol 23.51
    acetone 78.66
    n-butanol 17.56
    acetonitrile 37.08
    DMF 188.79
    toluene 5.76
    isobutanol 14.88
    1,4-dioxane 82.17
    methyl acetate 44.54
    THF 131.07
    2-butanone 43.84
    n-pentanol 20.46
    sec-butanol 17.34
    n-hexane 0.89
    ethylene glycol 40.96
    NMP 96.05
    cyclohexane 1.62
    DMSO 422.42
    n-butyl acetate 24.05
    n-octanol 16.97
    chloroform 64.29
    n-propyl acetate 30.16
    acetic acid 48.57
    dichloromethane 93.5
    cyclohexanone 57.12
    propylene glycol 20.2
    isopropyl acetate 17.57
    DMAc 132.77
    2-ethoxyethanol 98.29
    isopentanol 15.99
    n-heptane 1.43
    ethyl formate 53.34
    1,2-dichloroethane 77.51
    n-hexanol 22.15
    2-methoxyethanol 146.73
    isobutyl acetate 16.55
    tetrachloromethane 10.88
    n-pentyl acetate 19.72
    transcutol 64.95
    n-heptanol 15.81
    ethylbenzene 7.33
    MIBK 21.19
    2-propoxyethanol 69.84
    tert-butanol 30.14
    MTBE 15.35
    2-butoxyethanol 39.75
    propionic acid 28.9
    o-xylene 8.08
    formic acid 53.87
    diethyl ether 16.76
    m-xylene 6.45
    p-xylene 9.74
    chlorobenzene 17.62
    dimethyl carbonate 30.59
    n-octane 1.44
    formamide 94.61
    cyclopentanone 91.1
    2-pentanone 32.87
    anisole 26.96
    cyclopentyl methyl ether 28.65
    gamma-butyrolactone 118.19
    1-methoxy-2-propanol 70.73
    pyridine 44.02
    3-pentanone 24.07
    furfural 107.49
    n-dodecane 1.84
    diethylene glycol 99.04
    diisopropyl ether 4.7
    tert-amyl alcohol 23.48
    acetylacetone 52.51
    n-hexadecane 2.07
    acetophenone 35.07
    methyl propionate 41.0
    isopentyl acetate 21.66
    trichloroethylene 106.67
    n-nonanol 16.75
    cyclohexanol 19.41
    benzyl alcohol 33.9
    2-ethylhexanol 15.39
    isooctanol 13.68
    dipropyl ether 12.02
    1,2-dichlorobenzene 24.05
    ethyl lactate 30.69
    propylene carbonate 53.48
    n-methylformamide 101.11
    2-pentanol 10.05
    n-pentane 0.74
    1-propoxy-2-propanol 36.54
    1-methoxy-2-propyl acetate 33.41
    2-(2-methoxypropoxy) propanol 35.96
    mesitylene 5.04
    ε-caprolactone 56.79
    p-cymene 8.27
    epichlorohydrin 138.69
    1,1,1-trichloroethane 35.01
    2-aminoethanol 41.9
    morpholine-4-carbaldehyde 113.63
    sulfolane 172.65
    2,2,4-trimethylpentane 1.03
    2-methyltetrahydrofuran 51.49
    n-hexyl acetate 24.72
    isooctane 0.75
    2-(2-butoxyethoxy)ethanol 44.36
    sec-butyl acetate 14.33
    tert-butyl acetate 23.48
    decalin 2.15
    glycerin 51.37
    diglyme 87.76
    acrylic acid 32.37
    isopropyl myristate 11.77
    n-butyric acid 33.7
    acetyl acetate 20.42
    di(2-ethylhexyl) phthalate 16.89
    ethyl propionate 24.55
    nitromethane 116.31
    1,2-diethoxyethane 25.74
    benzonitrile 32.19
    trioctyl phosphate 14.25
    1-bromopropane 19.72
    gamma-valerolactone 118.69
    n-decanol 13.65
    triethyl phosphate 19.66
    4-methyl-2-pentanol 8.6
    propionitrile 26.7
    vinylene carbonate 53.23
    1,1,2-trichlorotrifluoroethane 110.7
    DMS 28.09
    cumene 7.56
    2-octanol 11.54
    2-hexanone 29.11
    octyl acetate 16.77
    limonene 10.71
    1,2-dimethoxyethane 133.01
    ethyl orthosilicate 16.71
    tributyl phosphate 15.31
    diacetone alcohol 45.29
    N,N-dimethylaniline 21.61
    acrylonitrile 45.34
    aniline 17.25
    1,3-propanediol 52.06
    bromobenzene 14.68
    dibromomethane 51.51
    1,1,2,2-tetrachloroethane 85.85
    2-methyl-cyclohexyl acetate 23.31
    tetrabutyl urea 23.47
    diisobutyl methanol 9.44
    2-phenylethanol 31.8
    styrene 8.66
    dioctyl adipate 20.19
    dimethyl sulfate 65.44
    ethyl butyrate 20.86
    methyl lactate 39.42
    butyl lactate 21.33
    diethyl carbonate 18.64
    propanediol butyl ether 34.42
    triethyl orthoformate 16.85
    p-tert-butyltoluene 7.64
    methyl 4-tert-butylbenzoate 32.92
    morpholine 89.67
    tert-butylamine 12.76
    n-dodecanol 11.15
    dimethoxymethane 111.68
    ethylene carbonate 42.72
    cyrene 51.12
    2-ethoxyethyl acetate 29.56
    2-ethylhexyl acetate 17.05
    1,2,4-trichlorobenzene 27.44
    4-methylpyridine 37.16
    dibutyl ether 13.1
    2,6-dimethyl-4-heptanol 9.44
    DEF 53.51
    dimethyl isosorbide 57.56
    tetrachloroethylene 63.28
    eugenol 37.55
    triacetin 27.32
    span 80 27.21
    1,4-butanediol 30.31
    1,1-dichloroethane 35.19
    2-methyl-1-pentanol 17.98
    methyl formate 95.99
    2-methyl-1-butanol 14.79
    n-decane 2.59
    butyronitrile 26.2
    3,7-dimethyl-1-octanol 14.13
    1-chlorooctane 10.33
    1-chlorotetradecane 5.63
    n-nonane 2.2
    undecane 2.13
    tert-butylcyclohexane 1.82
    cyclooctane 0.88
    cyclopentanol 26.38
    tetrahydropyran 36.86
    tert-amyl methyl ether 14.41
    2,5,8-trioxanonane 63.65
    1-hexene 4.15
    2-isopropoxyethanol 50.1
    2,2,2-trifluoroethanol 33.71
    methyl butyrate 39.92

    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
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.56%