3',4',5'-Trimethoxycinnamyl alcohol

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  • Identifiers

    CAS number
    1504-56-9

    Molecular formula
    C12H16O4

    SMILES
    COC1=CC(=CC(=C1OC)OC)C=CCO

    Safety labels

  • Odor profile

    Fragrance
    Floral 64.62%
    Vanilla 60.48%
    Spicy 60.21%
    Sweet 57.54%
    Balsamic 47.52%
    Powdery 40.39%
    Woody 36.94%
    Fruity 36.47%
    Warm 33.54%
    Clove 31.79%

     

    Flavor
    Fruity 32.96%
    Spice 32.05%
    Sweet 31.39%
    Woody 29.34%
    Spicy 29.19%
    Floral 28.46%
    Bitter 26.83%
    Flower 26.38%
    Creamy 23.57%
    Vanilla 22.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.97 (neutral)

    Molecular weight
    224.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 149.64 ˚C est.

  • Synonyms

    • 1504-56-9
    • DTXSID001294937
    • 3',4',5'-Trimethoxycinnamyl alcohol
    • RefChem:1065381
    • DTXCID701047127
    • 3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
    • 3-(3,4,5-trimethoxyphenyl)-2-propen-1-ol
    • trans-3,4-5-Trimethoxycinnamyl alcohol
    • trans-3-(3,4,5-Trimethoxyphenyl)allyl alcohol
    • 2-Propen-1-ol, 3-(3,4,5-trimethoxyphenyl)-
    • SCHEMBL4299632
    • AKOS017341547
    • DB-330872
    • 3-(3,4,5-Trimethoxyphenyl) -2-propen-1-ol
    • 3a(2),4a(2),5a(2)-Trimethoxycinnamyl alcohol
    • 3-(3',4',5'-trimethoxyphenyl) prop-2-en-1-ol
    • 1504-56-9

  • Applications

    3',4',5'-Trimethoxycinnamyl alcohol (CAS 1504-56-9) is primarily used as a fragrance-building block and synthesis intermediate in the aroma chemicals sector; in perfumery it serves as a precursor for the production of aroma esters and related fragrance materials, enabling the development of fruity and spicy notes. In cosmetics and personal care, it can function as a fragrance ingredient or as a starting material for synthesizing more complex scent compounds. It may also be used in household products and cleaning formulations as a fragrance additive to impart desired notes. In coatings and inks, it is employed as a fragrance component or minor modifier to introduce aroma. In industrial manufacturing, it may act as a building block for specialty polymers or as a precursor in fragrance-related chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.12
    methanol 175.38
    isopropanol 78.25
    water 1.72
    ethyl acetate 184.97
    n-propanol 95.06
    acetone 264.92
    n-butanol 72.54
    acetonitrile 202.88
    DMF 420.35
    toluene 24.34
    isobutanol 61.48
    1,4-dioxane 323.6
    methyl acetate 215.2
    THF 313.09
    2-butanone 140.22
    n-pentanol 67.13
    sec-butanol 66.73
    n-hexane 4.43
    ethylene glycol 195.03
    NMP 256.04
    cyclohexane 16.06
    DMSO 638.02
    n-butyl acetate 81.96
    n-octanol 41.95
    chloroform 416.58
    n-propyl acetate 106.7
    acetic acid 346.91
    dichloromethane 495.82
    cyclohexanone 201.46
    propylene glycol 108.99
    isopropyl acetate 73.85
    DMAc 248.54
    2-ethoxyethanol 248.11
    isopentanol 56.73
    n-heptane 7.29
    ethyl formate 205.64
    1,2-dichloroethane 368.21
    n-hexanol 68.94
    2-methoxyethanol 399.5
    isobutyl acetate 56.16
    tetrachloromethane 87.19
    n-pentyl acetate 57.91
    transcutol 212.26
    n-heptanol 43.97
    ethylbenzene 25.15
    MIBK 55.94
    2-propoxyethanol 162.55
    tert-butanol 114.96
    MTBE 66.7
    2-butoxyethanol 100.89
    propionic acid 158.13
    o-xylene 29.11
    formic acid 192.34
    diethyl ether 83.52
    m-xylene 23.68
    p-xylene 33.73
    chlorobenzene 92.41
    dimethyl carbonate 127.33
    n-octane 5.14
    formamide 315.03
    cyclopentanone 280.34
    2-pentanone 103.08
    anisole 81.59
    cyclopentyl methyl ether 97.88
    gamma-butyrolactone 424.12
    1-methoxy-2-propanol 205.93
    pyridine 187.67
    3-pentanone 83.55
    furfural 375.66
    n-dodecane 5.55
    diethylene glycol 254.63
    diisopropyl ether 21.55
    tert-amyl alcohol 82.85
    acetylacetone 178.95
    n-hexadecane 6.26
    acetophenone 96.84
    methyl propionate 159.74
    isopentyl acetate 69.56
    trichloroethylene 558.47
    n-nonanol 39.6
    cyclohexanol 88.8
    benzyl alcohol 99.05
    2-ethylhexanol 46.42
    isooctanol 37.23
    dipropyl ether 43.99
    1,2-dichlorobenzene 116.42
    ethyl lactate 91.7
    propylene carbonate 235.63
    n-methylformamide 280.58
    2-pentanol 42.89
    n-pentane 4.89
    1-propoxy-2-propanol 96.19
    1-methoxy-2-propyl acetate 98.52
    2-(2-methoxypropoxy) propanol 82.05
    mesitylene 19.09
    ε-caprolactone 199.04
    p-cymene 26.37
    epichlorohydrin 409.21
    1,1,1-trichloroethane 233.42
    2-aminoethanol 168.74
    morpholine-4-carbaldehyde 288.83
    sulfolane 483.0
    2,2,4-trimethylpentane 5.65
    2-methyltetrahydrofuran 160.18
    n-hexyl acetate 70.94
    isooctane 3.93
    2-(2-butoxyethoxy)ethanol 109.74
    sec-butyl acetate 53.75
    tert-butyl acetate 76.27
    decalin 10.72
    glycerin 217.26
    diglyme 232.48
    acrylic acid 196.78
    isopropyl myristate 31.32
    n-butyric acid 178.62
    acetyl acetate 138.99
    di(2-ethylhexyl) phthalate 42.31
    ethyl propionate 88.27
    nitromethane 567.91
    1,2-diethoxyethane 74.62
    benzonitrile 109.91
    trioctyl phosphate 34.89
    1-bromopropane 90.18
    gamma-valerolactone 336.36
    n-decanol 31.64
    triethyl phosphate 56.91
    4-methyl-2-pentanol 27.65
    propionitrile 108.34
    vinylene carbonate 235.31
    1,1,2-trichlorotrifluoroethane 446.04
    DMS 97.14
    cumene 24.05
    2-octanol 29.18
    2-hexanone 77.98
    octyl acetate 44.68
    limonene 38.57
    1,2-dimethoxyethane 299.8
    ethyl orthosilicate 49.28
    tributyl phosphate 39.54
    diacetone alcohol 110.87
    N,N-dimethylaniline 56.75
    acrylonitrile 182.41
    aniline 74.12
    1,3-propanediol 195.36
    bromobenzene 84.01
    dibromomethane 286.83
    1,1,2,2-tetrachloroethane 433.23
    2-methyl-cyclohexyl acetate 68.26
    tetrabutyl urea 52.69
    diisobutyl methanol 28.04
    2-phenylethanol 84.92
    styrene 33.87
    dioctyl adipate 57.06
    dimethyl sulfate 214.47
    ethyl butyrate 72.27
    methyl lactate 136.46
    butyl lactate 59.6
    diethyl carbonate 68.0
    propanediol butyl ether 89.83
    triethyl orthoformate 58.83
    p-tert-butyltoluene 25.0
    methyl 4-tert-butylbenzoate 85.97
    morpholine 316.86
    tert-butylamine 54.11
    n-dodecanol 25.6
    dimethoxymethane 267.46
    ethylene carbonate 197.61
    cyrene 127.47
    2-ethoxyethyl acetate 84.48
    2-ethylhexyl acetate 55.73
    1,2,4-trichlorobenzene 134.18
    4-methylpyridine 119.33
    dibutyl ether 36.03
    2,6-dimethyl-4-heptanol 28.04
    DEF 146.53
    dimethyl isosorbide 135.43
    tetrachloroethylene 333.27
    eugenol 91.13
    triacetin 90.04
    span 80 72.25
    1,4-butanediol 105.42
    1,1-dichloroethane 213.78
    2-methyl-1-pentanol 53.42
    methyl formate 309.75
    2-methyl-1-butanol 57.12
    n-decane 7.89
    butyronitrile 100.6
    3,7-dimethyl-1-octanol 34.52
    1-chlorooctane 30.7
    1-chlorotetradecane 15.52
    n-nonane 7.21
    undecane 6.46
    tert-butylcyclohexane 8.46
    cyclooctane 6.24
    cyclopentanol 116.2
    tetrahydropyran 163.73
    tert-amyl methyl ether 51.62
    2,5,8-trioxanonane 156.11
    1-hexene 16.28
    2-isopropoxyethanol 130.48
    2,2,2-trifluoroethanol 191.6
    methyl butyrate 125.72

    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