3',4',5'-Trimethoxyacetophenone

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  • Identifiers

    CAS number
    1136-86-3

    Molecular formula
    C11H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 72.49%
    Floral 71.46%
    Vanilla 71.24%
    Balsamic 55.88%
    Powdery 53.73%
    Spicy 52.3%
    Woody 49.52%
    Creamy 42.79%
    Phenolic 41.04%
    Fruity 35.26%

     

    Flavor
    Woody 56.88%
    Sweet 49.05%
    Spice 39.1%
    Smoky 35.42%
    Powdery 33.25%
    Caramel 32.89%
    Vanilla 31.05%
    Phenolic 30.52%
    Creamy 28.73%
    Flower 26.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.13 (neutral)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 120.99 ˚C est.

  • Synonyms

    • 3',4',5'-Trimethoxyacetophenone
    • 1136-86-3
    • 1-(3,4,5-TRIMETHOXYPHENYL)ETHANONE
    • Ethanone, 1-(3,4,5-trimethoxyphenyl)-
    • NSC-30099
    • 35KU75558G
    • DTXSID30150481
    • RefChem:90207
    • DTXCID6072972
    • 3',4',5'-TMA
    • 214-501-9
    • 3,4,5-Trimethoxyacetophenone
    • MFCD00008738
    • 1-(3,4,5-trimethoxyphenyl)ethan-1-one
    • (3,4,5-Trimethoxy)acetophenone
    • EINECS 214-501-9
    • NSC 30099
    • ZINC00057170
    • bmse010088
    • (3,5-Trimethoxy)acetophenone
    • SCHEMBL290542
    • SCHEMBL3022881
    • CHEMBL5280750
    • UNII-35KU75558G
    • BDBM81968
    • CHEBI:86547
    • HMS5118P17
    • 1-acetyl-3,4,5-trimethoxybenzene
    • NSC30099
    • 3,4,5-Trimethoxy-1-acetyl benzene
    • BBL034657
    • STL415950
    • Acetophenone, 3',4',5'-trimethoxy
    • AKOS000119391
    • 3'',4'',5''-Trimethoxyacetophenone
    • FT69925
    • TMA,3,4,5-
    • 1-(3,4,5-Trimethoxyphenyl)ethanone #
    • 3',4',5'-Trimethoxyacetophenone, 98%
    • AC-23726
    • AS-48162
    • SY049790
    • CAS_1136-86-3
    • DB-022819
    • CS-0075988
    • NS00023694
    • ST50307933
    • T0898
    • EN300-17124
    • F19548
    • F241621
    • SR-01000039809
    • SR-01000039809-1
    • Q27159233
    • Z56889007
    • F0850-6776
    • 3 inverted exclamation mark ,4 inverted exclamation mark ,5 inverted exclamation mark -Trimethoxyacetophenone
    • InChI=1/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H
    • 1136-86-3

  • Applications

    3',4',5'-Trimethoxyacetophenone (CAS 1136-86-3) is commonly used as a fragrance intermediate and odorant in perfumery, providing sweet floral notes and serving as a building block for more complex aroma molecules. In cosmetics and personal care, it may be used as a fragrance component within formulations. In household products such as cleaners and air freshening applications, it may be added to impart a pleasant scent. In industrial manufacturing and coatings/inks, it can function as a chemical intermediate for the synthesis of fragrance compounds used in specialty polymers and surface coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.6
    methanol 140.8
    isopropanol 62.08
    water 2.12
    ethyl acetate 275.64
    n-propanol 72.18
    acetone 370.07
    n-butanol 57.67
    acetonitrile 336.24
    DMF 504.66
    toluene 73.69
    isobutanol 50.68
    1,4-dioxane 493.94
    methyl acetate 376.23
    THF 445.6
    2-butanone 229.67
    n-pentanol 51.17
    sec-butanol 59.35
    n-hexane 6.83
    ethylene glycol 122.75
    NMP 380.85
    cyclohexane 30.07
    DMSO 494.25
    n-butyl acetate 131.17
    n-octanol 42.64
    chloroform 715.69
    n-propyl acetate 165.38
    acetic acid 302.93
    dichloromethane 916.35
    cyclohexanone 329.79
    propylene glycol 50.77
    isopropyl acetate 112.73
    DMAc 369.27
    2-ethoxyethanol 208.45
    isopentanol 47.54
    n-heptane 10.39
    ethyl formate 335.87
    1,2-dichloroethane 515.78
    n-hexanol 58.6
    2-methoxyethanol 352.34
    isobutyl acetate 84.42
    tetrachloromethane 144.21
    n-pentyl acetate 81.01
    transcutol 168.09
    n-heptanol 40.77
    ethylbenzene 66.23
    MIBK 68.2
    2-propoxyethanol 154.7
    tert-butanol 100.72
    MTBE 85.78
    2-butoxyethanol 94.06
    propionic acid 169.2
    o-xylene 77.39
    formic acid 154.69
    diethyl ether 113.33
    m-xylene 55.41
    p-xylene 99.38
    chlorobenzene 187.47
    dimethyl carbonate 176.21
    n-octane 7.26
    formamide 311.2
    cyclopentanone 424.3
    2-pentanone 138.15
    anisole 152.08
    cyclopentyl methyl ether 139.03
    gamma-butyrolactone 637.94
    1-methoxy-2-propanol 149.09
    pyridine 355.89
    3-pentanone 140.6
    furfural 627.16
    n-dodecane 6.81
    diethylene glycol 200.64
    diisopropyl ether 29.85
    tert-amyl alcohol 78.85
    acetylacetone 239.75
    n-hexadecane 8.01
    acetophenone 178.65
    methyl propionate 225.98
    isopentyl acetate 101.49
    trichloroethylene 892.44
    n-nonanol 39.92
    cyclohexanol 107.37
    benzyl alcohol 135.13
    2-ethylhexanol 50.97
    isooctanol 35.86
    dipropyl ether 60.21
    1,2-dichlorobenzene 209.42
    ethyl lactate 95.76
    propylene carbonate 339.93
    n-methylformamide 359.28
    2-pentanol 36.03
    n-pentane 6.32
    1-propoxy-2-propanol 83.66
    1-methoxy-2-propyl acetate 126.16
    2-(2-methoxypropoxy) propanol 78.14
    mesitylene 40.99
    ε-caprolactone 285.61
    p-cymene 46.45
    epichlorohydrin 570.98
    1,1,1-trichloroethane 408.09
    2-aminoethanol 101.53
    morpholine-4-carbaldehyde 435.15
    sulfolane 540.9
    2,2,4-trimethylpentane 6.64
    2-methyltetrahydrofuran 251.25
    n-hexyl acetate 96.63
    isooctane 4.1
    2-(2-butoxyethoxy)ethanol 95.37
    sec-butyl acetate 85.15
    tert-butyl acetate 106.35
    decalin 18.93
    glycerin 119.2
    diglyme 254.24
    acrylic acid 204.12
    isopropyl myristate 44.03
    n-butyric acid 182.96
    acetyl acetate 223.37
    di(2-ethylhexyl) phthalate 51.39
    ethyl propionate 143.61
    nitromethane 725.88
    1,2-diethoxyethane 96.63
    benzonitrile 195.12
    trioctyl phosphate 37.33
    1-bromopropane 133.24
    gamma-valerolactone 514.62
    n-decanol 31.76
    triethyl phosphate 86.76
    4-methyl-2-pentanol 24.09
    propionitrile 170.39
    vinylene carbonate 376.68
    1,1,2-trichlorotrifluoroethane 454.3
    DMS 145.06
    cumene 47.96
    2-octanol 30.95
    2-hexanone 111.88
    octyl acetate 58.09
    limonene 59.34
    1,2-dimethoxyethane 404.65
    ethyl orthosilicate 71.27
    tributyl phosphate 46.23
    diacetone alcohol 113.37
    N,N-dimethylaniline 103.77
    acrylonitrile 279.45
    aniline 124.99
    1,3-propanediol 133.34
    bromobenzene 193.42
    dibromomethane 480.1
    1,1,2,2-tetrachloroethane 609.48
    2-methyl-cyclohexyl acetate 98.52
    tetrabutyl urea 60.26
    diisobutyl methanol 32.33
    2-phenylethanol 111.53
    styrene 82.36
    dioctyl adipate 77.26
    dimethyl sulfate 265.22
    ethyl butyrate 123.98
    methyl lactate 122.17
    butyl lactate 58.55
    diethyl carbonate 116.83
    propanediol butyl ether 65.44
    triethyl orthoformate 86.88
    p-tert-butyltoluene 42.13
    methyl 4-tert-butylbenzoate 112.79
    morpholine 376.51
    tert-butylamine 53.29
    n-dodecanol 25.81
    dimethoxymethane 316.71
    ethylene carbonate 307.5
    cyrene 141.05
    2-ethoxyethyl acetate 120.09
    2-ethylhexyl acetate 86.28
    1,2,4-trichlorobenzene 239.73
    4-methylpyridine 255.32
    dibutyl ether 51.31
    2,6-dimethyl-4-heptanol 32.33
    DEF 208.18
    dimethyl isosorbide 173.91
    tetrachloroethylene 486.81
    eugenol 106.91
    triacetin 124.84
    span 80 64.6
    1,4-butanediol 61.56
    1,1-dichloroethane 336.9
    2-methyl-1-pentanol 47.07
    methyl formate 462.14
    2-methyl-1-butanol 47.23
    n-decane 10.52
    butyronitrile 140.18
    3,7-dimethyl-1-octanol 38.49
    1-chlorooctane 40.3
    1-chlorotetradecane 19.24
    n-nonane 9.81
    undecane 8.19
    tert-butylcyclohexane 13.49
    cyclooctane 9.79
    cyclopentanol 127.89
    tetrahydropyran 234.35
    tert-amyl methyl ether 69.56
    2,5,8-trioxanonane 158.8
    1-hexene 25.49
    2-isopropoxyethanol 116.93
    2,2,2-trifluoroethanol 203.29
    methyl butyrate 210.3

    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