1-(Diethoxymethyl)-4-methoxybenzene

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  • Identifiers

    CAS number
    2403-58-9

    Molecular formula
    C12H18O3

    SMILES
    CCOC(C1=CC=C(C=C1)OC)OCC

  • Odor profile

    Fragrance
    Sweet 80.73%
    Floral 77.46%
    Spicy 67.36%
    Anisic 61.38%
    Herbal 52.28%
    Vanilla 51.83%
    Aromatic 44.57%
    Green 37.67%
    Almond 35.36%
    Cherry 33.74%

     

    Flavor
    Fruity 72.81%
    Green 54.1%
    Floral 52.19%
    Sweet 44.04%
    Earthy 42.73%
    Wine 32.54%
    Pineapple 29.63%
    Spicy 29.0%
    Rose 28.09%
    Musty 27.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.69 (neutral)

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 102.99 ˚C est.

  • Synonyms

    • 1-(Diethoxymethyl)-4-methoxybenzene
    • 2403-58-9
    • p-(Diethoxymethyl)anisole
    • Benzene, 1-(diethoxymethyl)-4-methoxy-
    • 4-Methoxybenzaldehyde diethyl acetal
    • Anisaldenyde diethyl acetal
    • XNU9E8U6PY
    • EINECS 219-288-6
    • NSC 20033
    • NSC-20033
    • para-Methoxybenzaldehyde diethyl acetal
    • PARA-ANISALDEHYDE DIETHYL ACETAL
    • AI3-06443
    • DTXSID7051896
    • MFCD00672800
    • UNII-XNU9E8U6PY
    • SCHEMBL1472635
    • DTXCID5030458
    • CHEBI:229363
    • FTTLMNXOYOVHAG-UHFFFAOYSA-N
    • p-methoxybenzaldehyde diethylacetal
    • NSC20033
    • DB-325813
    • NS00011982
    • Q63392925
    • 219-288-6

  • Applications

    1-(Diethoxymethyl)-4-methoxybenzene, CAS 2403-58-9, is typically used as a synthetic intermediate in fragrance and cosmetics, serving as a building block for aroma and flavor derivatives and as an intermediate in personal care formulation; it is also evaluated as a building block in pharmaceutical research and development; in coatings, inks, and paints, it can function as an intermediate for the synthesis of related compounds used in formulations; and in the plastics and polymer sectors it may participate in the preparation of functional materials for specific applications; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 577.77
    methanol 652.36
    isopropanol 473.5
    water 1.66
    ethyl acetate 1548.81
    n-propanol 491.19
    acetone 2101.61
    n-butanol 501.02
    acetonitrile 1925.46
    DMF 1585.68
    toluene 450.7
    isobutanol 430.3
    1,4-dioxane 1602.04
    methyl acetate 1284.53
    THF 1512.53
    2-butanone 1173.33
    n-pentanol 454.43
    sec-butanol 527.65
    n-hexane 179.99
    ethylene glycol 176.06
    NMP 1492.16
    cyclohexane 390.11
    DMSO 2830.03
    n-butyl acetate 1019.4
    n-octanol 272.73
    chloroform 6055.89
    n-propyl acetate 1051.43
    acetic acid 1649.43
    dichloromethane 7267.49
    cyclohexanone 1627.83
    propylene glycol 214.6
    isopropyl acetate 691.06
    DMAc 1319.23
    2-ethoxyethanol 836.51
    isopentanol 457.37
    n-heptane 112.11
    ethyl formate 1025.75
    1,2-dichloroethane 3936.08
    n-hexanol 382.72
    2-methoxyethanol 974.89
    isobutyl acetate 523.22
    tetrachloromethane 1020.48
    n-pentyl acetate 524.49
    transcutol 1804.52
    n-heptanol 197.31
    ethylbenzene 346.72
    MIBK 470.98
    2-propoxyethanol 595.28
    tert-butanol 742.14
    MTBE 754.19
    2-butoxyethanol 380.09
    propionic acid 900.39
    o-xylene 345.72
    formic acid 428.88
    diethyl ether 1138.19
    m-xylene 314.0
    p-xylene 490.07
    chlorobenzene 1161.65
    dimethyl carbonate 589.34
    n-octane 51.21
    formamide 791.91
    cyclopentanone 1720.25
    2-pentanone 921.18
    anisole 688.16
    cyclopentyl methyl ether 883.34
    gamma-butyrolactone 2239.29
    1-methoxy-2-propanol 648.84
    pyridine 1497.18
    3-pentanone 910.87
    furfural 1828.4
    n-dodecane 40.1
    diethylene glycol 456.14
    diisopropyl ether 288.59
    tert-amyl alcohol 677.55
    acetylacetone 1229.45
    n-hexadecane 47.07
    acetophenone 727.03
    methyl propionate 1003.37
    isopentyl acetate 710.32
    trichloroethylene 6447.2
    n-nonanol 231.02
    cyclohexanol 675.9
    benzyl alcohol 519.18
    2-ethylhexanol 313.4
    isooctanol 181.31
    dipropyl ether 536.07
    1,2-dichlorobenzene 1236.45
    ethyl lactate 407.58
    propylene carbonate 1305.55
    n-methylformamide 944.44
    2-pentanol 397.91
    n-pentane 144.47
    1-propoxy-2-propanol 483.29
    1-methoxy-2-propyl acetate 648.26
    2-(2-methoxypropoxy) propanol 424.48
    mesitylene 231.13
    ε-caprolactone 1336.7
    p-cymene 229.07
    epichlorohydrin 2469.11
    1,1,1-trichloroethane 3060.1
    2-aminoethanol 313.9
    morpholine-4-carbaldehyde 1292.94
    sulfolane 2625.09
    2,2,4-trimethylpentane 87.19
    2-methyltetrahydrofuran 1272.06
    n-hexyl acetate 687.95
    isooctane 46.49
    2-(2-butoxyethoxy)ethanol 553.72
    sec-butyl acetate 551.2
    tert-butyl acetate 655.08
    decalin 145.44
    glycerin 342.97
    diglyme 1223.18
    acrylic acid 913.52
    isopropyl myristate 270.55
    n-butyric acid 1133.17
    acetyl acetate 1141.15
    di(2-ethylhexyl) phthalate 236.69
    ethyl propionate 847.9
    nitromethane 3141.47
    1,2-diethoxyethane 837.74
    benzonitrile 924.71
    trioctyl phosphate 181.22
    1-bromopropane 1648.79
    gamma-valerolactone 1633.74
    n-decanol 172.01
    triethyl phosphate 374.73
    4-methyl-2-pentanol 211.09
    propionitrile 1074.32
    vinylene carbonate 1328.79
    1,1,2-trichlorotrifluoroethane 1783.27
    DMS 688.94
    cumene 228.23
    2-octanol 175.12
    2-hexanone 748.48
    octyl acetate 338.31
    limonene 342.51
    1,2-dimethoxyethane 1482.08
    ethyl orthosilicate 337.62
    tributyl phosphate 268.72
    diacetone alcohol 544.11
    N,N-dimethylaniline 440.15
    acrylonitrile 1415.02
    aniline 611.91
    1,3-propanediol 449.37
    bromobenzene 1453.7
    dibromomethane 4360.26
    1,1,2,2-tetrachloroethane 4700.25
    2-methyl-cyclohexyl acetate 513.9
    tetrabutyl urea 322.91
    diisobutyl methanol 183.35
    2-phenylethanol 401.22
    styrene 500.02
    dioctyl adipate 411.81
    dimethyl sulfate 946.56
    ethyl butyrate 784.49
    methyl lactate 430.31
    butyl lactate 390.69
    diethyl carbonate 632.66
    propanediol butyl ether 386.62
    triethyl orthoformate 511.48
    p-tert-butyltoluene 208.3
    methyl 4-tert-butylbenzoate 507.15
    morpholine 1467.7
    tert-butylamine 513.1
    n-dodecanol 137.7
    dimethoxymethane 1020.71
    ethylene carbonate 1126.56
    cyrene 491.12
    2-ethoxyethyl acetate 662.69
    2-ethylhexyl acetate 595.75
    1,2,4-trichlorobenzene 1300.24
    4-methylpyridine 1238.96
    dibutyl ether 508.52
    2,6-dimethyl-4-heptanol 183.35
    DEF 1124.76
    dimethyl isosorbide 720.5
    tetrachloroethylene 3103.21
    eugenol 453.22
    triacetin 730.21
    span 80 371.18
    1,4-butanediol 264.41
    1,1-dichloroethane 3051.55
    2-methyl-1-pentanol 421.89
    methyl formate 999.81
    2-methyl-1-butanol 492.46
    n-decane 69.14
    butyronitrile 1015.93
    3,7-dimethyl-1-octanol 268.83
    1-chlorooctane 307.7
    1-chlorotetradecane 117.98
    n-nonane 73.62
    undecane 49.93
    tert-butylcyclohexane 112.12
    cyclooctane 110.36
    cyclopentanol 628.49
    tetrahydropyran 1369.69
    tert-amyl methyl ether 580.25
    2,5,8-trioxanonane 766.39
    1-hexene 475.35
    2-isopropoxyethanol 549.84
    2,2,2-trifluoroethanol 717.72
    methyl butyrate 1182.15

    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