3,4,5-Trimethoxyphenyl acetate

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  • Identifiers

    CAS number
    17742-46-0

    Molecular formula
    C11H14O5

    SMILES
    CC(=O)OC1=CC(=C(C(=C1)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 53.46%
    Spicy 50.68%
    Sweet 48.27%
    Fruity 47.45%
    Vanilla 47.14%
    Woody 43.48%
    Phenolic 43.46%
    Balsamic 40.78%
    Powdery 38.61%
    Smoky 31.19%

     

    Flavor
    Woody 42.38%
    Sweet 36.33%
    Spice 34.66%
    Bitter 32.61%
    Fruity 27.77%
    Smoky 25.92%
    Mild 25.3%
    Powdery 24.03%
    Phenolic 23.54%
    Eugenol 23.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.77 (neutral)

    Molecular weight
    226.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Melting point expt.

    • 74 °C

    Flash point

    • 123.6 ˚C est.

  • Synonyms

    • 3,4,5-trimethoxyphenyl acetate
    • 17742-46-0
    • (3,4,5-trimethoxyphenyl) acetate
    • NSC 123859
    • Phenol, 3,4,5-trimethoxy-, 1-acetate
    • NSC123859
    • SCHEMBL736176
    • DTXSID20298523
    • CHEBI:172465
    • NSC-123859
    • AC-776/41252552
    • 17742-46-0

  • Applications

    3,4,5-Trimethoxyphenyl acetate (CAS 17742-46-0) is used primarily as an intermediate in fragrance and specialty chemical synthesis, often as a building block for aroma compounds and may function as a fragrance intermediate or odorant in perfumery and personal care formulations. In household cleaning products, it may be employed as a fragrance ingredient contributing to the product’s scent. In coatings and inks, it can serve as an intermediate for the synthesis of aroma-related compounds and related additives. In industrial manufacturing, it is used as an organic intermediate in multi-step syntheses of complex chemicals, with applications dependent on regulatory and formulation limits. Always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.35
    methanol 61.33
    isopropanol 32.21
    water 1.44
    ethyl acetate 189.28
    n-propanol 32.78
    acetone 249.11
    n-butanol 31.73
    acetonitrile 175.01
    DMF 439.51
    toluene 34.03
    isobutanol 28.44
    1,4-dioxane 191.57
    methyl acetate 202.22
    THF 335.66
    2-butanone 126.63
    n-pentanol 26.02
    sec-butanol 32.03
    n-hexane 7.18
    ethylene glycol 47.95
    NMP 505.67
    cyclohexane 13.26
    DMSO 531.1
    n-butyl acetate 93.24
    n-octanol 22.31
    chloroform 357.2
    n-propyl acetate 98.29
    acetic acid 243.07
    dichloromethane 410.18
    cyclohexanone 193.56
    propylene glycol 30.95
    isopropyl acetate 104.92
    DMAc 475.73
    2-ethoxyethanol 103.85
    isopentanol 32.43
    n-heptane 6.7
    ethyl formate 141.54
    1,2-dichloroethane 277.72
    n-hexanol 33.3
    2-methoxyethanol 189.94
    isobutyl acetate 59.38
    tetrachloromethane 65.48
    n-pentyl acetate 49.34
    transcutol 142.46
    n-heptanol 18.4
    ethylbenzene 32.82
    MIBK 67.87
    2-propoxyethanol 107.29
    tert-butanol 60.31
    MTBE 69.99
    2-butoxyethanol 48.54
    propionic acid 113.12
    o-xylene 42.85
    formic acid 119.81
    diethyl ether 77.45
    m-xylene 35.78
    p-xylene 42.31
    chlorobenzene 96.07
    dimethyl carbonate 160.4
    n-octane 3.15
    formamide 185.77
    cyclopentanone 305.73
    2-pentanone 108.69
    anisole 90.78
    cyclopentyl methyl ether 130.1
    gamma-butyrolactone 468.25
    1-methoxy-2-propanol 112.95
    pyridine 129.11
    3-pentanone 107.49
    furfural 401.15
    n-dodecane 3.41
    diethylene glycol 124.32
    diisopropyl ether 30.01
    tert-amyl alcohol 54.01
    acetylacetone 237.18
    n-hexadecane 3.99
    acetophenone 111.45
    methyl propionate 180.02
    isopentyl acetate 83.89
    trichloroethylene 506.98
    n-nonanol 21.16
    cyclohexanol 58.64
    benzyl alcohol 65.04
    2-ethylhexanol 33.47
    isooctanol 18.39
    dipropyl ether 47.62
    1,2-dichlorobenzene 119.47
    ethyl lactate 76.87
    propylene carbonate 251.88
    n-methylformamide 187.03
    2-pentanol 26.6
    n-pentane 5.88
    1-propoxy-2-propanol 70.12
    1-methoxy-2-propyl acetate 129.33
    2-(2-methoxypropoxy) propanol 80.33
    mesitylene 27.67
    ε-caprolactone 192.75
    p-cymene 31.04
    epichlorohydrin 407.71
    1,1,1-trichloroethane 257.59
    2-aminoethanol 42.19
    morpholine-4-carbaldehyde 354.36
    sulfolane 561.99
    2,2,4-trimethylpentane 6.43
    2-methyltetrahydrofuran 180.42
    n-hexyl acetate 68.23
    isooctane 3.75
    2-(2-butoxyethoxy)ethanol 69.18
    sec-butyl acetate 70.85
    tert-butyl acetate 107.98
    decalin 12.72
    glycerin 91.36
    diglyme 172.92
    acrylic acid 152.3
    isopropyl myristate 34.42
    n-butyric acid 114.63
    acetyl acetate 199.04
    di(2-ethylhexyl) phthalate 41.37
    ethyl propionate 117.71
    nitromethane 573.85
    1,2-diethoxyethane 63.98
    benzonitrile 95.27
    trioctyl phosphate 29.56
    1-bromopropane 83.26
    gamma-valerolactone 341.91
    n-decanol 17.0
    triethyl phosphate 82.34
    4-methyl-2-pentanol 21.31
    propionitrile 85.93
    vinylene carbonate 236.97
    1,1,2-trichlorotrifluoroethane 355.94
    DMS 132.96
    cumene 28.85
    2-octanol 14.44
    2-hexanone 72.93
    octyl acetate 43.11
    limonene 44.82
    1,2-dimethoxyethane 216.27
    ethyl orthosilicate 67.7
    tributyl phosphate 41.47
    diacetone alcohol 107.32
    N,N-dimethylaniline 75.83
    acrylonitrile 139.78
    aniline 65.73
    1,3-propanediol 62.79
    bromobenzene 98.06
    dibromomethane 222.75
    1,1,2,2-tetrachloroethane 391.62
    2-methyl-cyclohexyl acetate 83.43
    tetrabutyl urea 56.87
    diisobutyl methanol 23.7
    2-phenylethanol 63.08
    styrene 38.95
    dioctyl adipate 61.67
    dimethyl sulfate 347.25
    ethyl butyrate 93.06
    methyl lactate 118.35
    butyl lactate 43.26
    diethyl carbonate 90.46
    propanediol butyl ether 42.14
    triethyl orthoformate 73.27
    p-tert-butyltoluene 30.42
    methyl 4-tert-butylbenzoate 90.87
    morpholine 185.47
    tert-butylamine 35.03
    n-dodecanol 14.39
    dimethoxymethane 229.0
    ethylene carbonate 190.2
    cyrene 128.06
    2-ethoxyethyl acetate 79.07
    2-ethylhexyl acetate 74.33
    1,2,4-trichlorobenzene 144.89
    4-methylpyridine 128.74
    dibutyl ether 33.7
    2,6-dimethyl-4-heptanol 23.7
    DEF 185.91
    dimethyl isosorbide 166.73
    tetrachloroethylene 265.61
    eugenol 75.31
    triacetin 105.3
    span 80 51.45
    1,4-butanediol 29.57
    1,1-dichloroethane 200.84
    2-methyl-1-pentanol 31.45
    methyl formate 225.05
    2-methyl-1-butanol 32.36
    n-decane 5.12
    butyronitrile 79.27
    3,7-dimethyl-1-octanol 27.23
    1-chlorooctane 23.17
    1-chlorotetradecane 11.71
    n-nonane 4.78
    undecane 4.1
    tert-butylcyclohexane 10.2
    cyclooctane 5.37
    cyclopentanol 74.56
    tetrahydropyran 122.21
    tert-amyl methyl ether 68.13
    2,5,8-trioxanonane 132.34
    1-hexene 21.25
    2-isopropoxyethanol 70.16
    2,2,2-trifluoroethanol 173.22
    methyl butyrate 137.47

    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