3,4,5-Trimethoxyhydrocinnamic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    25173-72-2

    Molecular formula
    C12H16O5

    SMILES
    COC1=CC(=CC(=C1OC)OC)CCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 51.25%
    Sweet 41.05%
    Creamy 36.06%
    Balsamic 35.79%
    Fruity 34.46%
    Spicy 32.91%
    Odorless 32.68%
    Powdery 32.44%
    Floral 31.55%
    Phenolic 30.86%

     

    Flavor
    Odorless 31.65%
    Mild 27.61%
    Woody 27.51%
    Sweet 26.81%
    Bland 26.41%
    Faint 24.59%
    Creamy 23.67%
    Spice 23.66%
    Fruity 23.37%
    Smoky 22.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.92 (neutral)

    Molecular weight
    240.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Melting point expt.

    • 102 - 103 °C

    Flash point

    • 162.11 ˚C est.

  • Synonyms

    • 25173-72-2
    • Benzenepropanoic acid, 3,4,5-trimethoxy-
    • 3,4,5-Trimethoxyhydrocinnamic acid
    • EINECS 246-706-4
    • NSC 169988
    • AI3-38431
    • DTXSID60179842
    • RefChem:485775
    • DTXCID20102333
    • 246-706-4
    • InChI=1/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14
    • 3-(3,4,5-Trimethoxyphenyl)propanoic acid
    • 3-(3,4,5-Trimethoxyphenyl)propionic acid
    • MFCD00002775
    • 3,4,5-trimethoxydihydrocinnamic acid
    • 3,4,5-Trimethoxyphenylpropionic acid
    • 3,4,5-trimethoxy-benzenepropanoic acid
    • NSC169988
    • Maybridge1_005958
    • Oprea1_083965
    • SCHEMBL429622
    • CHEMBL484645
    • MEGxp0_002067
    • orb1307128
    • SCHEMBL6399862
    • ACon1_001226
    • HMS558G18
    • CHEBI:583580
    • ALBB-025678
    • BB_NC-02237
    • BBL003400
    • CCG-52269
    • SBB000794
    • STK803112
    • AKOS000119417
    • DS-6653
    • EBC-615317
    • FT34658
    • HY-W022390
    • NSC-169988
    • Benzenepropanoic acid,3,4,5-trimethoxy-
    • NCGC00169556-01
    • PD099450
    • SY109418
    • DB-021607
    • 3-(3,4,5-trimethoxyphenyl) propionic acid
    • CS-0041622
    • NS00027824
    • ST45028705
    • 3-(3,4,5-Trimethoxy-phenyl)-propionic acid
    • beta-(3,4,5-Trimethoxy phenyl)propionic acid
    • EN300-17346
    • 3-(3',4',5'-trimethoxyphenyl)propionic acid
    • beta -(3,4,5-Trimethoxy phenyl)propionic acid
    • D78077
    • .beta.-(3,4,5-Trimethoxy phenyl)propionic acid
    • F325098
    • 3-(3,4,5-Trimethoxyphenyl)propionic acid, >=98%
    • SR-01000641513-1
    • BRD-K95734889-001-01-9
    • Q27225779
    • Z56922108
    • NCGC00169556-02!3-(3,4,5-trimethoxyphenyl)propanoic acid
    • 25173-72-2

  • Applications

    3,4,5-Trimethoxyhydrocinnamic acid (CAS 25173-72-2) is a substituted hydrocinnamic acid commonly used as a synthetic intermediate in fragrance chemistry and related industries. In perfumery, it serves as a building block for aroma compounds and as a precursor to other methoxy-substituted fragrance materials. In cosmetics and personal care, it is evaluated as an intermediate for fragrance formulations and downstream synthesis of active ingredients. In pharmaceuticals, it provides a synthetic building block for compounds bearing the 3,4,5-trimethoxyphenylpropionic motif. In polymers/plastics and coatings/inks, it can be converted to esters or employed as an aryl acid intermediate to influence resin properties or to prepare specialty monomers and additives. Its exact uses depend on formulation goals and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.07
    methanol 201.89
    isopropanol 50.51
    water 1.69
    ethyl acetate 57.27
    n-propanol 59.17
    acetone 123.62
    n-butanol 42.66
    acetonitrile 62.32
    DMF 324.63
    toluene 9.33
    isobutanol 35.94
    1,4-dioxane 169.86
    methyl acetate 70.19
    THF 192.07
    2-butanone 67.63
    n-pentanol 46.64
    sec-butanol 40.79
    n-hexane 1.01
    ethylene glycol 105.49
    NMP 135.64
    cyclohexane 2.58
    DMSO 573.41
    n-butyl acetate 32.58
    n-octanol 29.75
    chloroform 124.33
    n-propyl acetate 43.17
    acetic acid 116.55
    dichloromethane 165.51
    cyclohexanone 90.64
    propylene glycol 54.58
    isopropyl acetate 26.6
    DMAc 204.42
    2-ethoxyethanol 193.48
    isopentanol 33.09
    n-heptane 1.58
    ethyl formate 101.9
    1,2-dichloroethane 117.3
    n-hexanol 40.08
    2-methoxyethanol 301.18
    isobutyl acetate 24.68
    tetrachloromethane 17.5
    n-pentyl acetate 29.95
    transcutol 108.95
    n-heptanol 27.45
    ethylbenzene 10.88
    MIBK 29.85
    2-propoxyethanol 114.26
    tert-butanol 68.45
    MTBE 25.31
    2-butoxyethanol 69.07
    propionic acid 62.69
    o-xylene 12.34
    formic acid 131.61
    diethyl ether 26.54
    m-xylene 9.97
    p-xylene 14.94
    chlorobenzene 29.85
    dimethyl carbonate 41.7
    n-octane 1.82
    formamide 193.34
    cyclopentanone 125.95
    2-pentanone 47.55
    anisole 40.18
    cyclopentyl methyl ether 40.67
    gamma-butyrolactone 167.91
    1-methoxy-2-propanol 138.09
    pyridine 77.63
    3-pentanone 32.56
    furfural 177.5
    n-dodecane 2.55
    diethylene glycol 175.16
    diisopropyl ether 6.39
    tert-amyl alcohol 47.18
    acetylacetone 77.71
    n-hexadecane 2.83
    acetophenone 52.7
    methyl propionate 60.16
    isopentyl acetate 28.84
    trichloroethylene 176.85
    n-nonanol 27.89
    cyclohexanol 40.87
    benzyl alcohol 63.05
    2-ethylhexanol 23.23
    isooctanol 22.55
    dipropyl ether 15.69
    1,2-dichlorobenzene 38.24
    ethyl lactate 48.82
    propylene carbonate 85.85
    n-methylformamide 188.39
    2-pentanol 20.65
    n-pentane 0.91
    1-propoxy-2-propanol 56.21
    1-methoxy-2-propyl acetate 45.0
    2-(2-methoxypropoxy) propanol 52.95
    mesitylene 7.3
    ε-caprolactone 92.19
    p-cymene 10.85
    epichlorohydrin 208.4
    1,1,1-trichloroethane 54.1
    2-aminoethanol 105.12
    morpholine-4-carbaldehyde 186.8
    sulfolane 228.65
    2,2,4-trimethylpentane 1.4
    2-methyltetrahydrofuran 80.09
    n-hexyl acetate 38.07
    isooctane 1.03
    2-(2-butoxyethoxy)ethanol 71.57
    sec-butyl acetate 20.56
    tert-butyl acetate 33.01
    decalin 2.91
    glycerin 125.41
    diglyme 136.3
    acrylic acid 66.02
    isopropyl myristate 16.6
    n-butyric acid 71.95
    acetyl acetate 36.02
    di(2-ethylhexyl) phthalate 26.66
    ethyl propionate 33.43
    nitromethane 207.45
    1,2-diethoxyethane 39.43
    benzonitrile 56.0
    trioctyl phosphate 21.42
    1-bromopropane 29.84
    gamma-valerolactone 189.42
    n-decanol 22.32
    triethyl phosphate 24.51
    4-methyl-2-pentanol 15.02
    propionitrile 44.63
    vinylene carbonate 88.39
    1,1,2-trichlorotrifluoroethane 189.07
    DMS 39.57
    cumene 10.74
    2-octanol 19.62
    2-hexanone 40.82
    octyl acetate 24.41
    limonene 14.22
    1,2-dimethoxyethane 220.82
    ethyl orthosilicate 21.46
    tributyl phosphate 22.22
    diacetone alcohol 68.08
    N,N-dimethylaniline 30.93
    acrylonitrile 76.17
    aniline 29.26
    1,3-propanediol 128.52
    bromobenzene 24.79
    dibromomethane 86.0
    1,1,2,2-tetrachloroethane 143.49
    2-methyl-cyclohexyl acetate 31.09
    tetrabutyl urea 33.16
    diisobutyl methanol 13.74
    2-phenylethanol 50.53
    styrene 13.27
    dioctyl adipate 29.62
    dimethyl sulfate 85.43
    ethyl butyrate 27.12
    methyl lactate 65.46
    butyl lactate 33.87
    diethyl carbonate 24.39
    propanediol butyl ether 65.06
    triethyl orthoformate 22.29
    p-tert-butyltoluene 10.31
    methyl 4-tert-butylbenzoate 47.65
    morpholine 169.4
    tert-butylamine 25.69
    n-dodecanol 18.06
    dimethoxymethane 178.75
    ethylene carbonate 72.68
    cyrene 77.9
    2-ethoxyethyl acetate 45.0
    2-ethylhexyl acetate 21.95
    1,2,4-trichlorobenzene 43.97
    4-methylpyridine 62.41
    dibutyl ether 19.35
    2,6-dimethyl-4-heptanol 13.74
    DEF 78.87
    dimethyl isosorbide 77.52
    tetrachloroethylene 103.75
    eugenol 56.56
    triacetin 41.8
    span 80 45.48
    1,4-butanediol 77.5
    1,1-dichloroethane 59.17
    2-methyl-1-pentanol 34.5
    methyl formate 181.57
    2-methyl-1-butanol 31.96
    n-decane 3.56
    butyronitrile 45.75
    3,7-dimethyl-1-octanol 22.96
    1-chlorooctane 15.27
    1-chlorotetradecane 7.92
    n-nonane 2.99
    undecane 2.93
    tert-butylcyclohexane 2.49
    cyclooctane 1.17
    cyclopentanol 54.81
    tetrahydropyran 67.05
    tert-amyl methyl ether 21.3
    2,5,8-trioxanonane 98.78
    1-hexene 5.65
    2-isopropoxyethanol 92.41
    2,2,2-trifluoroethanol 68.8
    methyl butyrate 57.34

    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