1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol

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  • Identifiers

    CAS number
    98205-47-1

    Molecular formula
    C13H20O5

    SMILES
    CC(C(C1=CC(=C(C=C1OC)OC)OC)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 56.33%
    Sweet 39.87%
    Fruity 36.91%
    Floral 36.17%
    Creamy 32.69%
    Powdery 32.47%
    Balsamic 31.53%
    Odorless 29.16%
    Woody 26.87%
    Milky 25.41%

     

    Flavor
    Bitter 40.99%
    Fruity 36.28%
    Mild 24.79%
    Odorless 22.59%
    Bland 22.55%
    Sweet-like 22.14%
    Parsley 20.99%
    Creamy 20.74%
    Carrot 20.63%
    Eugenol 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.37 (neutral)

    Molecular weight
    256.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 138.29 ˚C est.

  • Synonyms

    • 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol
    • 1-METHOXY-1-(2,4,5-TRIMETHOXYPHENYL)PROPAN-2-OL
    • CHEBI:172498
    • DTXSID201262889
    • I(2),2,4,5-Tetramethoxy-I+/--methylbenzeneethanol
    • 98205-47-1
    • 98205-47-1

  • Applications

    1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol (CAS 98205-47-1) is mainly used as an organic synthesis intermediate for the preparation of more complex aromatic compounds, including derivatives used in fragrance chemistry and pharmaceutical building blocks. In industry, it is commonly evaluated as a precursor for the synthesis of substituted phenyl/methoxy derivatives and other aromatic alcohols, serving as a specialty reagent in organic synthesis. Typical application areas include fragrance and cosmetics development as a source material for customized aroma compounds; coatings/inks and adhesives as an intermediate for resin systems and additives; polymers/plastics as a building block for functionalized monomers or crosslinking agents; and general industrial manufacturing of fine chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 147.51
    methanol 258.76
    isopropanol 82.51
    water 6.16
    ethyl acetate 216.69
    n-propanol 102.93
    acetone 228.85
    n-butanol 83.97
    acetonitrile 184.6
    DMF 385.66
    toluene 34.84
    isobutanol 67.93
    1,4-dioxane 322.89
    methyl acetate 217.93
    THF 364.59
    2-butanone 120.91
    n-pentanol 65.93
    sec-butanol 72.47
    n-hexane 4.05
    ethylene glycol 165.6
    NMP 406.04
    cyclohexane 19.09
    DMSO 557.22
    n-butyl acetate 107.83
    n-octanol 33.96
    chloroform 559.93
    n-propyl acetate 116.19
    acetic acid 679.7
    dichloromethane 606.57
    cyclohexanone 245.5
    propylene glycol 97.41
    isopropyl acetate 92.15
    DMAc 335.68
    2-ethoxyethanol 239.55
    isopentanol 66.86
    n-heptane 6.17
    ethyl formate 216.38
    1,2-dichloroethane 364.46
    n-hexanol 64.86
    2-methoxyethanol 390.54
    isobutyl acetate 70.58
    tetrachloromethane 103.43
    n-pentyl acetate 65.14
    transcutol 230.63
    n-heptanol 39.08
    ethylbenzene 31.27
    MIBK 53.14
    2-propoxyethanol 168.12
    tert-butanol 130.27
    MTBE 76.93
    2-butoxyethanol 100.83
    propionic acid 214.53
    o-xylene 43.82
    formic acid 387.64
    diethyl ether 83.7
    m-xylene 33.08
    p-xylene 44.48
    chlorobenzene 117.36
    dimethyl carbonate 140.04
    n-octane 3.17
    formamide 460.76
    cyclopentanone 295.5
    2-pentanone 90.38
    anisole 91.18
    cyclopentyl methyl ether 131.03
    gamma-butyrolactone 502.84
    1-methoxy-2-propanol 181.04
    pyridine 218.36
    3-pentanone 83.68
    furfural 462.7
    n-dodecane 3.08
    diethylene glycol 230.93
    diisopropyl ether 22.29
    tert-amyl alcohol 93.29
    acetylacetone 177.27
    n-hexadecane 3.5
    acetophenone 124.72
    methyl propionate 166.3
    isopentyl acetate 90.35
    trichloroethylene 626.76
    n-nonanol 32.83
    cyclohexanol 128.32
    benzyl alcohol 108.84
    2-ethylhexanol 46.65
    isooctanol 34.13
    dipropyl ether 47.45
    1,2-dichlorobenzene 140.38
    ethyl lactate 91.73
    propylene carbonate 303.78
    n-methylformamide 261.94
    2-pentanol 46.05
    n-pentane 4.27
    1-propoxy-2-propanol 99.46
    1-methoxy-2-propyl acetate 120.67
    2-(2-methoxypropoxy) propanol 85.67
    mesitylene 23.99
    ε-caprolactone 257.39
    p-cymene 31.65
    epichlorohydrin 448.72
    1,1,1-trichloroethane 257.45
    2-aminoethanol 154.24
    morpholine-4-carbaldehyde 380.47
    sulfolane 538.26
    2,2,4-trimethylpentane 6.33
    2-methyltetrahydrofuran 214.22
    n-hexyl acetate 78.32
    isooctane 3.13
    2-(2-butoxyethoxy)ethanol 106.18
    sec-butyl acetate 66.03
    tert-butyl acetate 93.91
    decalin 10.68
    glycerin 206.66
    diglyme 249.46
    acrylic acid 274.28
    isopropyl myristate 31.62
    n-butyric acid 239.41
    acetyl acetate 217.05
    di(2-ethylhexyl) phthalate 47.1
    ethyl propionate 101.62
    nitromethane 768.08
    1,2-diethoxyethane 85.49
    benzonitrile 128.34
    trioctyl phosphate 36.03
    1-bromopropane 99.89
    gamma-valerolactone 390.79
    n-decanol 24.82
    triethyl phosphate 75.99
    4-methyl-2-pentanol 28.5
    propionitrile 108.0
    vinylene carbonate 316.0
    1,1,2-trichlorotrifluoroethane 535.1
    DMS 114.75
    cumene 27.76
    2-octanol 23.79
    2-hexanone 75.01
    octyl acetate 44.91
    limonene 46.47
    1,2-dimethoxyethane 276.55
    ethyl orthosilicate 67.61
    tributyl phosphate 43.6
    diacetone alcohol 111.6
    N,N-dimethylaniline 74.91
    acrylonitrile 173.52
    aniline 103.55
    1,3-propanediol 205.48
    bromobenzene 108.68
    dibromomethane 335.26
    1,1,2,2-tetrachloroethane 474.48
    2-methyl-cyclohexyl acetate 90.33
    tetrabutyl urea 54.05
    diisobutyl methanol 27.35
    2-phenylethanol 94.48
    styrene 40.03
    dioctyl adipate 64.19
    dimethyl sulfate 232.1
    ethyl butyrate 99.07
    methyl lactate 129.76
    butyl lactate 63.32
    diethyl carbonate 91.71
    propanediol butyl ether 75.77
    triethyl orthoformate 79.49
    p-tert-butyltoluene 30.52
    methyl 4-tert-butylbenzoate 102.1
    morpholine 334.88
    tert-butylamine 61.88
    n-dodecanol 19.48
    dimethoxymethane 233.8
    ethylene carbonate 259.22
    cyrene 153.16
    2-ethoxyethyl acetate 100.56
    2-ethylhexyl acetate 76.59
    1,2,4-trichlorobenzene 162.86
    4-methylpyridine 163.27
    dibutyl ether 34.23
    2,6-dimethyl-4-heptanol 27.35
    DEF 169.21
    dimethyl isosorbide 177.06
    tetrachloroethylene 369.63
    eugenol 97.73
    triacetin 114.3
    span 80 75.56
    1,4-butanediol 91.46
    1,1-dichloroethane 228.66
    2-methyl-1-pentanol 60.89
    methyl formate 316.18
    2-methyl-1-butanol 66.01
    n-decane 4.8
    butyronitrile 99.44
    3,7-dimethyl-1-octanol 32.54
    1-chlorooctane 25.5
    1-chlorotetradecane 10.82
    n-nonane 4.41
    undecane 3.66
    tert-butylcyclohexane 8.13
    cyclooctane 5.79
    cyclopentanol 147.07
    tetrahydropyran 194.44
    tert-amyl methyl ether 66.23
    2,5,8-trioxanonane 165.92
    1-hexene 15.81
    2-isopropoxyethanol 131.78
    2,2,2-trifluoroethanol 358.46
    methyl butyrate 146.27

    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