1-(3,4-Dimethoxyphenyl)-1,2-propanediol

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  • Identifiers

    CAS number
    20133-19-1

    Molecular formula
    C11H16O4

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

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 72.64%
    Sweet 57.94%
    Creamy 49.31%
    Balsamic 37.57%
    Milky 37.56%
    Fruity 35.48%
    Powdery 34.04%
    Caramellic 33.35%
    Odorless 33.33%
    Dairy 27.86%

     

    Flavor
    Sweet 38.07%
    Bitter 37.89%
    Odorless 34.99%
    Fruity 34.54%
    Mild 28.57%
    Creamy 26.45%
    Bland 25.27%
    Sweet-like 24.38%
    Eugenol 20.63%
    Powdery 20.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.85 (neutral)

    Molecular weight
    212.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Flash point

    • 150.81 ˚C est.

  • Synonyms

    • 20133-19-1
    • 1-(3,4-Dimethoxyphenyl)-1,2-propanediol
    • RefChem:1054094
    • 1-(3,4-Dimethoxyphenyl)propane-1,2-diol
    • Methyl isoeugenol glycol
    • 1,2-Propanediol, 1-(3,4-dimethoxyphenyl)-
    • N6222F124L
    • UNII-N6222F124L
    • BRN 3203142
    • 4-06-00-07703 (Beilstein Handbook Reference)
    • orb1684028
    • SCHEMBL28957718
    • SCHEMBL30366304
    • HY-N0972
    • MFCD01698050
    • AKOS015999007
    • DB-328471
    • CS-0016110
    • Q27284601
    • 20133-19-1

  • Applications

    1-(3,4-Dimethoxyphenyl)-1,2-propanediol (CAS 20133-19-1) is primarily used as an organic synthesis intermediate and is commonly employed as a building block for constructing more complex molecules. Real-world applications span perfumery/fragrance (a precursor or intermediate for fragrance compounds), cosmetics/personal care (a building block for fragrance-related ingredients in cosmetic formulations), household products (contributing to scents in cleaning and household formulations), pharmaceuticals (a precursor or scaffold for synthetic routes to drug-like compounds), and polymers/plastics (a diol co-monomer or crosslinking component for polyols and polyesters). In some cases it is evaluated as a chiral building block for enantioselective syntheses of bioactive or tool compounds. Overall, use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.82
    methanol 164.34
    isopropanol 51.02
    water 6.7
    ethyl acetate 69.04
    n-propanol 62.8
    acetone 110.99
    n-butanol 46.83
    acetonitrile 56.49
    DMF 379.39
    toluene 6.46
    isobutanol 36.78
    1,4-dioxane 142.55
    methyl acetate 73.72
    THF 195.04
    2-butanone 53.84
    n-pentanol 35.32
    sec-butanol 42.27
    n-hexane 1.71
    ethylene glycol 130.78
    NMP 256.86
    cyclohexane 4.77
    DMSO 810.22
    n-butyl acetate 49.18
    n-octanol 24.27
    chloroform 101.59
    n-propyl acetate 51.46
    acetic acid 352.97
    dichloromethane 126.65
    cyclohexanone 112.55
    propylene glycol 87.35
    isopropyl acetate 38.99
    DMAc 240.78
    2-ethoxyethanol 189.74
    isopentanol 42.21
    n-heptane 2.71
    ethyl formate 78.47
    1,2-dichloroethane 97.29
    n-hexanol 40.42
    2-methoxyethanol 290.7
    isobutyl acetate 28.03
    tetrachloromethane 19.41
    n-pentyl acetate 30.74
    transcutol 308.15
    n-heptanol 25.22
    ethylbenzene 9.0
    MIBK 36.18
    2-propoxyethanol 108.72
    tert-butanol 119.12
    MTBE 55.33
    2-butoxyethanol 67.84
    propionic acid 124.02
    o-xylene 14.18
    formic acid 340.3
    diethyl ether 40.78
    m-xylene 10.22
    p-xylene 11.92
    chlorobenzene 25.47
    dimethyl carbonate 66.4
    n-octane 1.56
    formamide 493.99
    cyclopentanone 177.41
    2-pentanone 45.67
    anisole 42.62
    cyclopentyl methyl ether 64.4
    gamma-butyrolactone 290.19
    1-methoxy-2-propanol 148.28
    pyridine 57.42
    3-pentanone 37.47
    furfural 226.22
    n-dodecane 1.5
    diethylene glycol 163.2
    diisopropyl ether 12.72
    tert-amyl alcohol 85.86
    acetylacetone 100.44
    n-hexadecane 1.69
    acetophenone 59.07
    methyl propionate 72.58
    isopentyl acetate 46.04
    trichloroethylene 178.07
    n-nonanol 22.43
    cyclohexanol 53.93
    benzyl alcohol 49.1
    2-ethylhexanol 25.93
    isooctanol 22.13
    dipropyl ether 23.61
    1,2-dichlorobenzene 40.74
    ethyl lactate 61.22
    propylene carbonate 135.8
    n-methylformamide 221.19
    2-pentanol 28.88
    n-pentane 1.83
    1-propoxy-2-propanol 71.25
    1-methoxy-2-propyl acetate 72.65
    2-(2-methoxypropoxy) propanol 77.22
    mesitylene 9.72
    ε-caprolactone 114.94
    p-cymene 13.4
    epichlorohydrin 213.46
    1,1,1-trichloroethane 51.16
    2-aminoethanol 133.36
    morpholine-4-carbaldehyde 260.48
    sulfolane 430.46
    2,2,4-trimethylpentane 3.15
    2-methyltetrahydrofuran 94.8
    n-hexyl acetate 42.76
    isooctane 1.88
    2-(2-butoxyethoxy)ethanol 92.12
    sec-butyl acetate 29.35
    tert-butyl acetate 63.88
    decalin 3.78
    glycerin 196.22
    diglyme 204.44
    acrylic acid 163.25
    isopropyl myristate 17.83
    n-butyric acid 114.07
    acetyl acetate 70.55
    di(2-ethylhexyl) phthalate 25.32
    ethyl propionate 44.38
    nitromethane 510.88
    1,2-diethoxyethane 58.9
    benzonitrile 41.03
    trioctyl phosphate 20.21
    1-bromopropane 23.38
    gamma-valerolactone 233.1
    n-decanol 16.6
    triethyl phosphate 39.35
    4-methyl-2-pentanol 20.86
    propionitrile 36.11
    vinylene carbonate 126.84
    1,1,2-trichlorotrifluoroethane 277.71
    DMS 61.26
    cumene 10.6
    2-octanol 15.34
    2-hexanone 35.93
    octyl acetate 24.12
    limonene 20.25
    1,2-dimethoxyethane 198.61
    ethyl orthosilicate 34.14
    tributyl phosphate 25.06
    diacetone alcohol 96.15
    N,N-dimethylaniline 41.3
    acrylonitrile 69.93
    aniline 30.72
    1,3-propanediol 141.39
    bromobenzene 20.25
    dibromomethane 66.11
    1,1,2,2-tetrachloroethane 137.55
    2-methyl-cyclohexyl acetate 45.98
    tetrabutyl urea 33.16
    diisobutyl methanol 17.94
    2-phenylethanol 45.45
    styrene 9.97
    dioctyl adipate 35.7
    dimethyl sulfate 161.67
    ethyl butyrate 41.71
    methyl lactate 90.71
    butyl lactate 41.05
    diethyl carbonate 38.9
    propanediol butyl ether 71.08
    triethyl orthoformate 39.89
    p-tert-butyltoluene 14.15
    methyl 4-tert-butylbenzoate 64.21
    morpholine 169.35
    tert-butylamine 47.52
    n-dodecanol 12.51
    dimethoxymethane 160.55
    ethylene carbonate 102.17
    cyrene 106.88
    2-ethoxyethyl acetate 57.18
    2-ethylhexyl acetate 33.92
    1,2,4-trichlorobenzene 51.63
    4-methylpyridine 40.47
    dibutyl ether 20.63
    2,6-dimethyl-4-heptanol 17.94
    DEF 96.8
    dimethyl isosorbide 127.78
    tetrachloroethylene 112.94
    eugenol 60.07
    triacetin 73.33
    span 80 58.11
    1,4-butanediol 66.42
    1,1-dichloroethane 43.31
    2-methyl-1-pentanol 34.1
    methyl formate 207.4
    2-methyl-1-butanol 40.75
    n-decane 2.49
    butyronitrile 31.48
    3,7-dimethyl-1-octanol 22.44
    1-chlorooctane 12.03
    1-chlorotetradecane 5.06
    n-nonane 2.23
    undecane 1.86
    tert-butylcyclohexane 3.34
    cyclooctane 2.22
    cyclopentanol 68.89
    tetrahydropyran 69.84
    tert-amyl methyl ether 43.91
    2,5,8-trioxanonane 137.84
    1-hexene 6.08
    2-isopropoxyethanol 95.39
    2,2,2-trifluoroethanol 194.01
    methyl butyrate 62.25

    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