3,4-Dimethoxyphenylpropane

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  • Identifiers

    CAS number
    5888-52-8

    Molecular formula
    C11H16O2

    SMILES
    CCCC1=CC(=C(C=C1)OC)OC

  • Odor profile

    Fragrance
    Spicy 71.71%
    Phenolic 57.81%
    Sweet 48.7%
    Smoky 44.91%
    Earthy 42.74%
    Woody 41.37%
    Clove 36.57%
    Herbal 35.13%
    Leathery 33.92%
    Vanilla 32.86%

     

    Flavor
    Phenolic 42.68%
    Earthy 42.23%
    Musty 40.78%
    Sweet 39.27%
    Spicy 38.91%
    Spice 36.57%
    Smoky 32.68%
    Vanilla 32.17%
    Anise 29.07%
    Balsam 27.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.8 (neutral)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 91.41 ˚C est.

  • Synonyms

    • 1,2-Dimethoxy-4-propylbenzene
    • 5888-52-8
    • 4-Propylveratrole
    • 1,2-Dimethoxy-4-N-propylbenzene
    • 3,4-Dimethoxyphenylpropane
    • Benzene, 1,2-dimethoxy-4-propyl-
    • Veratrole, 4-propyl-
    • 3,4-Dimethoxypropylbenzene
    • UNII-V1O06LO267
    • BRN 2556708
    • AI3-20939
    • V1O06LO267
    • DTXSID50207582
    • 4-06-00-05977 (Beilstein Handbook Reference)
    • MFCD00043730
    • SCHEMBL427541
    • 4-propyl-1.2-dimethoxybenzene
    • 1,2-dimethoxy-4-propyl-benzene
    • 3-(3,4-dimethoxypheny) propane
    • DTXCID00130073
    • CHEBI:167439
    • 3-(3,4-dimethoxyphenyl) propane
    • 3-(3, 4-dimethoxypheny) propane
    • AKOS006230685
    • BS-50992
    • SY333320
    • DB-080934
    • E84240
    • Q27291416

  • Applications

    3,4-Dimethoxyphenylpropane (CAS 5888-52-8) is typically used as an organic synthesis intermediate for fragrant and aromatic compounds and can serve as a precursor for a range of specialty chemicals; in practice, it is often evaluated for applications such as fragrance/odorant intermediate in perfumery and cosmetic formulations; as a building block in pharmaceutical and agrochemical syntheses; as a precursor for dyes and additives used in coatings and inks; as a feedstock for polymer and plastic materials; and as a starting point for other aromatic compound syntheses in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1892.31
    methanol 1757.71
    isopropanol 1281.06
    water 0.9
    ethyl acetate 4084.31
    n-propanol 1719.97
    acetone 5251.98
    n-butanol 1447.22
    acetonitrile 4951.67
    DMF 3404.47
    toluene 1027.04
    isobutanol 1248.08
    1,4-dioxane 4868.58
    methyl acetate 3797.17
    THF 3716.7
    2-butanone 2801.92
    n-pentanol 849.52
    sec-butanol 1236.9
    n-hexane 239.07
    ethylene glycol 516.26
    NMP 2023.83
    cyclohexane 853.46
    DMSO 3471.51
    n-butyl acetate 2030.49
    n-octanol 400.07
    chloroform 9231.81
    n-propyl acetate 1788.58
    acetic acid 3222.8
    dichloromethane 10918.09
    cyclohexanone 4364.25
    propylene glycol 506.26
    isopropyl acetate 1543.57
    DMAc 1295.29
    2-ethoxyethanol 1681.97
    isopentanol 1078.05
    n-heptane 194.51
    ethyl formate 2815.67
    1,2-dichloroethane 7797.52
    n-hexanol 979.91
    2-methoxyethanol 2843.05
    isobutyl acetate 851.05
    tetrachloromethane 1913.61
    n-pentyl acetate 879.45
    transcutol 2732.63
    n-heptanol 390.9
    ethylbenzene 513.55
    MIBK 961.96
    2-propoxyethanol 1508.72
    tert-butanol 1882.37
    MTBE 1999.46
    2-butoxyethanol 736.82
    propionic acid 2128.88
    o-xylene 566.47
    formic acid 719.86
    diethyl ether 3095.19
    m-xylene 628.39
    p-xylene 652.39
    chlorobenzene 2275.28
    dimethyl carbonate 1099.21
    n-octane 94.9
    formamide 1585.18
    cyclopentanone 4133.01
    2-pentanone 2189.78
    anisole 1141.3
    cyclopentyl methyl ether 2049.12
    gamma-butyrolactone 5073.18
    1-methoxy-2-propanol 1550.8
    pyridine 3535.83
    3-pentanone 1812.9
    furfural 3347.37
    n-dodecane 63.5
    diethylene glycol 1110.46
    diisopropyl ether 625.86
    tert-amyl alcohol 1331.58
    acetylacetone 2334.56
    n-hexadecane 76.58
    acetophenone 920.75
    methyl propionate 2590.6
    isopentyl acetate 1301.35
    trichloroethylene 10902.45
    n-nonanol 342.55
    cyclohexanol 1792.22
    benzyl alcohol 859.34
    2-ethylhexanol 591.5
    isooctanol 325.39
    dipropyl ether 952.29
    1,2-dichlorobenzene 1978.3
    ethyl lactate 554.26
    propylene carbonate 2598.27
    n-methylformamide 2635.84
    2-pentanol 945.19
    n-pentane 272.15
    1-propoxy-2-propanol 980.51
    1-methoxy-2-propyl acetate 1160.8
    2-(2-methoxypropoxy) propanol 477.08
    mesitylene 429.35
    ε-caprolactone 3043.99
    p-cymene 322.98
    epichlorohydrin 5550.95
    1,1,1-trichloroethane 6290.61
    2-aminoethanol 789.68
    morpholine-4-carbaldehyde 2295.75
    sulfolane 4040.26
    2,2,4-trimethylpentane 131.82
    2-methyltetrahydrofuran 2873.93
    n-hexyl acetate 1072.17
    isooctane 102.8
    2-(2-butoxyethoxy)ethanol 785.71
    sec-butyl acetate 824.99
    tert-butyl acetate 1412.22
    decalin 229.26
    glycerin 650.67
    diglyme 1900.62
    acrylic acid 1865.61
    isopropyl myristate 368.17
    n-butyric acid 2783.26
    acetyl acetate 2268.78
    di(2-ethylhexyl) phthalate 282.37
    ethyl propionate 1379.92
    nitromethane 6408.59
    1,2-diethoxyethane 1553.62
    benzonitrile 1468.26
    trioctyl phosphate 250.41
    1-bromopropane 3130.81
    gamma-valerolactone 3909.08
    n-decanol 254.47
    triethyl phosphate 431.67
    4-methyl-2-pentanol 424.64
    propionitrile 2859.49
    vinylene carbonate 2457.8
    1,1,2-trichlorotrifluoroethane 3118.87
    DMS 1015.16
    cumene 321.39
    2-octanol 299.42
    2-hexanone 1216.14
    octyl acetate 489.66
    limonene 520.24
    1,2-dimethoxyethane 2891.71
    ethyl orthosilicate 422.16
    tributyl phosphate 331.29
    diacetone alcohol 1103.01
    N,N-dimethylaniline 536.09
    acrylonitrile 3371.25
    aniline 1366.44
    1,3-propanediol 1269.61
    bromobenzene 2541.82
    dibromomethane 6620.46
    1,1,2,2-tetrachloroethane 7939.15
    2-methyl-cyclohexyl acetate 636.58
    tetrabutyl urea 381.51
    diisobutyl methanol 334.87
    2-phenylethanol 742.88
    styrene 770.96
    dioctyl adipate 501.1
    dimethyl sulfate 1362.22
    ethyl butyrate 1152.56
    methyl lactate 755.35
    butyl lactate 507.92
    diethyl carbonate 839.79
    propanediol butyl ether 556.65
    triethyl orthoformate 662.93
    p-tert-butyltoluene 302.54
    methyl 4-tert-butylbenzoate 589.78
    morpholine 4740.02
    tert-butylamine 1090.35
    n-dodecanol 205.07
    dimethoxymethane 2395.41
    ethylene carbonate 2328.83
    cyrene 576.48
    2-ethoxyethyl acetate 1122.78
    2-ethylhexyl acetate 1003.28
    1,2,4-trichlorobenzene 1997.44
    4-methylpyridine 2459.13
    dibutyl ether 745.54
    2,6-dimethyl-4-heptanol 334.87
    DEF 2311.47
    dimethyl isosorbide 949.23
    tetrachloroethylene 5406.38
    eugenol 547.5
    triacetin 791.95
    span 80 477.94
    1,4-butanediol 530.11
    1,1-dichloroethane 6240.16
    2-methyl-1-pentanol 696.16
    methyl formate 2748.35
    2-methyl-1-butanol 1083.92
    n-decane 108.83
    butyronitrile 2493.4
    3,7-dimethyl-1-octanol 379.72
    1-chlorooctane 473.42
    1-chlorotetradecane 178.36
    n-nonane 116.05
    undecane 80.3
    tert-butylcyclohexane 178.47
    cyclooctane 238.14
    cyclopentanol 1656.65
    tetrahydropyran 4396.84
    tert-amyl methyl ether 1129.78
    2,5,8-trioxanonane 953.0
    1-hexene 675.38
    2-isopropoxyethanol 978.15
    2,2,2-trifluoroethanol 1109.81
    methyl butyrate 1956.58

    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