4-(Diethoxymethyl)-1-ethoxy-2-methoxybenzene

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  • Identifiers

    CAS number
    72797-28-5

    Molecular formula
    C14H22O4

    SMILES
    CCOC1=C(C=C(C=C1)C(OCC)OCC)OC

  • Odor profile

    Fragrance
    Vanilla 68.75%
    Sweet 57.53%
    Floral 55.27%
    Spicy 54.17%
    Anisic 36.7%
    Aromatic 36.6%
    Powdery 34.08%
    Warm 32.24%
    Creamy 31.92%
    Balsamic 31.2%

     

    Flavor
    Fruity 56.67%
    Green 44.79%
    Earthy 40.26%
    Sweet 36.19%
    Floral 34.09%
    Bitter 30.75%
    Musty 30.63%
    Wine 28.45%
    Creamy 27.44%
    Fruit 24.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.47 (neutral)

    Molecular weight
    254.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 120.99 ˚C est.

  • Synonyms

    • 4-(Diethoxymethyl)-1-ethoxy-2-methoxybenzene
    • Ethylvanillin diethyl acetal
    • 72797-28-5
    • Benzene, 4-(diethoxymethyl)-1-ethoxy-2-methoxy-
    • DTXSID4072603
    • DTXCID3047348
    • KOBWSOGHQMNSSS-UHFFFAOYSA-N

  • Applications

    4-(Diethoxymethyl)-1-ethoxy-2-methoxybenzene (CAS 72797-28-5) is an aromatic ether primarily used as an intermediate in the synthesis of fragrance compounds. In the fragrance industry, it is commonly viewed as a precursor for constructing more complex aroma molecules and may function as an odorant or fixative in perfumery. In cosmetics and personal care, it may appear as an intermediate for fragrance compound synthesis or as a building block in formulation of scented products. In industrial manufacturing, it is considered a specialty chemical intermediate for producing additional fragrance materials and may be encountered in formulation or process streams related to fragrance development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 888.63
    methanol 1094.01
    isopropanol 719.61
    water 4.15
    ethyl acetate 4245.8
    n-propanol 795.47
    acetone 4847.32
    n-butanol 778.55
    acetonitrile 4386.24
    DMF 3850.19
    toluene 954.25
    isobutanol 706.85
    1,4-dioxane 2683.55
    methyl acetate 3196.41
    THF 2803.64
    2-butanone 2424.79
    n-pentanol 647.32
    sec-butanol 805.71
    n-hexane 251.26
    ethylene glycol 347.09
    NMP 3271.26
    cyclohexane 733.09
    DMSO 5410.07
    n-butyl acetate 2076.38
    n-octanol 419.0
    chloroform 10803.7
    n-propyl acetate 2316.17
    acetic acid 3998.56
    dichloromethane 13631.23
    cyclohexanone 3692.43
    propylene glycol 309.76
    isopropyl acetate 2012.45
    DMAc 2937.81
    2-ethoxyethanol 1455.35
    isopentanol 729.09
    n-heptane 174.9
    ethyl formate 2314.67
    1,2-dichloroethane 8297.69
    n-hexanol 597.01
    2-methoxyethanol 1813.02
    isobutyl acetate 1105.04
    tetrachloromethane 2091.11
    n-pentyl acetate 1167.51
    transcutol 2577.23
    n-heptanol 322.42
    ethylbenzene 625.92
    MIBK 1041.44
    2-propoxyethanol 1069.14
    tert-butanol 1035.27
    MTBE 1413.72
    2-butoxyethanol 640.14
    propionic acid 1869.21
    o-xylene 727.66
    formic acid 1136.83
    diethyl ether 2249.41
    m-xylene 665.22
    p-xylene 936.69
    chlorobenzene 2429.88
    dimethyl carbonate 1813.26
    n-octane 89.13
    formamide 2170.54
    cyclopentanone 3806.73
    2-pentanone 2122.52
    anisole 1238.9
    cyclopentyl methyl ether 1846.14
    gamma-butyrolactone 5072.96
    1-methoxy-2-propanol 1218.21
    pyridine 2932.82
    3-pentanone 2215.13
    furfural 3670.79
    n-dodecane 68.05
    diethylene glycol 832.79
    diisopropyl ether 628.93
    tert-amyl alcohol 996.97
    acetylacetone 3494.64
    n-hexadecane 80.46
    acetophenone 1446.87
    methyl propionate 2802.32
    isopentyl acetate 1462.88
    trichloroethylene 13109.01
    n-nonanol 358.72
    cyclohexanol 1311.3
    benzyl alcohol 911.99
    2-ethylhexanol 517.51
    isooctanol 298.45
    dipropyl ether 948.28
    1,2-dichlorobenzene 2584.07
    ethyl lactate 777.99
    propylene carbonate 3125.18
    n-methylformamide 2256.03
    2-pentanol 665.52
    n-pentane 211.53
    1-propoxy-2-propanol 796.78
    1-methoxy-2-propyl acetate 1369.88
    2-(2-methoxypropoxy) propanol 624.18
    mesitylene 464.58
    ε-caprolactone 3096.52
    p-cymene 410.29
    epichlorohydrin 5193.15
    1,1,1-trichloroethane 6486.99
    2-aminoethanol 513.55
    morpholine-4-carbaldehyde 2606.67
    sulfolane 5525.25
    2,2,4-trimethylpentane 151.77
    2-methyltetrahydrofuran 2494.65
    n-hexyl acetate 1369.54
    isooctane 81.49
    2-(2-butoxyethoxy)ethanol 776.71
    sec-butyl acetate 1267.02
    tert-butyl acetate 1648.63
    decalin 265.21
    glycerin 550.58
    diglyme 2042.29
    acrylic acid 2004.88
    isopropyl myristate 490.93
    n-butyric acid 2544.7
    acetyl acetate 3711.89
    di(2-ethylhexyl) phthalate 415.16
    ethyl propionate 2006.69
    nitromethane 7975.08
    1,2-diethoxyethane 1522.84
    benzonitrile 1753.78
    trioctyl phosphate 339.91
    1-bromopropane 3026.57
    gamma-valerolactone 3559.15
    n-decanol 256.15
    triethyl phosphate 765.85
    4-methyl-2-pentanol 358.56
    propionitrile 2195.04
    vinylene carbonate 3023.18
    1,1,2-trichlorotrifluoroethane 3760.05
    DMS 1660.02
    cumene 407.76
    2-octanol 297.6
    2-hexanone 1399.16
    octyl acetate 624.81
    limonene 632.27
    1,2-dimethoxyethane 2562.82
    ethyl orthosilicate 671.0
    tributyl phosphate 495.99
    diacetone alcohol 1105.07
    N,N-dimethylaniline 796.59
    acrylonitrile 2896.76
    aniline 1163.24
    1,3-propanediol 819.22
    bromobenzene 3116.88
    dibromomethane 7891.94
    1,1,2,2-tetrachloroethane 9435.93
    2-methyl-cyclohexyl acetate 954.96
    tetrabutyl urea 570.98
    diisobutyl methanol 309.49
    2-phenylethanol 732.49
    styrene 907.05
    dioctyl adipate 756.48
    dimethyl sulfate 2586.89
    ethyl butyrate 1602.97
    methyl lactate 954.89
    butyl lactate 750.61
    diethyl carbonate 1276.56
    propanediol butyl ether 562.65
    triethyl orthoformate 966.04
    p-tert-butyltoluene 369.48
    methyl 4-tert-butylbenzoate 946.73
    morpholine 2630.21
    tert-butylamine 709.89
    n-dodecanol 205.29
    dimethoxymethane 2449.54
    ethylene carbonate 2719.04
    cyrene 795.34
    2-ethoxyethyl acetate 1390.38
    2-ethylhexyl acetate 1247.45
    1,2,4-trichlorobenzene 2609.17
    4-methylpyridine 2560.29
    dibutyl ether 847.45
    2,6-dimethyl-4-heptanol 309.49
    DEF 2830.47
    dimethyl isosorbide 1273.36
    tetrachloroethylene 6608.14
    eugenol 741.18
    triacetin 1430.19
    span 80 554.93
    1,4-butanediol 439.0
    1,1-dichloroethane 6243.5
    2-methyl-1-pentanol 654.12
    methyl formate 2491.03
    2-methyl-1-butanol 794.28
    n-decane 118.95
    butyronitrile 1930.8
    3,7-dimethyl-1-octanol 396.57
    1-chlorooctane 507.18
    1-chlorotetradecane 199.2
    n-nonane 124.34
    undecane 85.47
    tert-butylcyclohexane 187.73
    cyclooctane 211.12
    cyclopentanol 1229.02
    tetrahydropyran 2510.54
    tert-amyl methyl ether 1101.76
    2,5,8-trioxanonane 1152.18
    1-hexene 631.04
    2-isopropoxyethanol 964.0
    2,2,2-trifluoroethanol 1882.82
    methyl butyrate 2634.2

    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