p-(Diethoxymethyl)toluene

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  • Identifiers

    CAS number
    2403-59-0

    Molecular formula
    C12H18O2

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

  • Odor profile

    Fragrance
    Sweet 77.45%
    Floral 76.12%
    Green 63.6%
    Spicy 53.85%
    Herbal 51.66%
    Almond 49.8%
    Anisic 45.35%
    Bitter 41.87%
    Cherry 41.59%
    Fruity 39.4%

     

    Flavor
    Fruity 73.23%
    Floral 62.01%
    Green 53.96%
    Earthy 43.2%
    Sweet 37.56%
    Spicy 35.77%
    Rose 31.24%
    Wine 30.6%
    Pineapple 27.83%
    Mushroom 27.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.89 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 92.15 ˚C est.

  • Synonyms

    • 1-(diethoxymethyl)-4-methylbenzene
    • p-(Diethoxymethyl)toluene
    • 2403-59-0
    • Benzene,1-(diethoxymethyl)-4-methyl-
    • NSC-296503
    • EINECS 219-289-1
    • NSC296503
    • ZPU3NY92Q7
    • SCHEMBL3906858
    • DTXSID80178776
    • KCKGLVOPXDIEIJ-UHFFFAOYSA-N
    • 4-Methylbenzaldehyde diethyl acetal
    • AKOS006318071
    • NSC 296503
    • Benzene, 1-(diethoxymethyl)-4-methyl-
    • NS00027543

  • Applications

    p-(Diethoxymethyl)toluene (CAS 2403-59-0) is primarily used as an organic synthesis intermediate; it contains a para-substituted aryl acetal that protects the aldehyde functionality during processing and can be deprotected under acidic conditions to yield p-tolualdehyde when required. It serves as a building block for specialty polymers and resins, enabling controlled introduction of aldehyde functionality in downstream steps. In coatings and inks, it can act as a reactive intermediate or protected aldehyde source to influence cure chemistry and resin formation, with deprotection providing aldehyde functionality in situ. In fragrance chemistry, it may be used as a precursor to aldehyde-derived fragrance components or as a starting material for related aroma compounds. Its role as a versatile synthetic intermediate is commonly evaluated in research and development under appropriate conditions, with deprotection to p-tolualdehyde providing a route to aldehyde functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1215.88
    methanol 833.93
    isopropanol 1207.77
    water 1.24
    ethyl acetate 1941.45
    n-propanol 1182.16
    acetone 2466.93
    n-butanol 1320.24
    acetonitrile 2074.97
    DMF 1798.07
    toluene 977.91
    isobutanol 1140.39
    1,4-dioxane 2709.05
    methyl acetate 1660.03
    THF 2718.11
    2-butanone 1686.21
    n-pentanol 952.8
    sec-butanol 1273.45
    n-hexane 787.09
    ethylene glycol 180.12
    NMP 1705.63
    cyclohexane 1344.97
    DMSO 1677.01
    n-butyl acetate 1759.79
    n-octanol 765.26
    chloroform 8678.07
    n-propyl acetate 1315.45
    acetic acid 1599.22
    dichloromethane 7895.79
    cyclohexanone 2940.58
    propylene glycol 285.39
    isopropyl acetate 1083.66
    DMAc 1511.96
    2-ethoxyethanol 956.59
    isopentanol 1100.66
    n-heptane 518.18
    ethyl formate 1298.06
    1,2-dichloroethane 4343.23
    n-hexanol 1157.75
    2-methoxyethanol 1193.84
    isobutyl acetate 848.32
    tetrachloromethane 1609.49
    n-pentyl acetate 933.45
    transcutol 1946.71
    n-heptanol 588.52
    ethylbenzene 703.84
    MIBK 797.11
    2-propoxyethanol 1014.13
    tert-butanol 1643.79
    MTBE 1684.95
    2-butoxyethanol 706.88
    propionic acid 1096.52
    o-xylene 655.96
    formic acid 241.59
    diethyl ether 2009.5
    m-xylene 646.68
    p-xylene 1020.8
    chlorobenzene 1680.3
    dimethyl carbonate 599.06
    n-octane 250.17
    formamide 420.95
    cyclopentanone 2519.93
    2-pentanone 1477.82
    anisole 1036.82
    cyclopentyl methyl ether 1596.36
    gamma-butyrolactone 2668.76
    1-methoxy-2-propanol 955.91
    pyridine 2187.14
    3-pentanone 1295.46
    furfural 1915.16
    n-dodecane 165.8
    diethylene glycol 585.95
    diisopropyl ether 634.77
    tert-amyl alcohol 1320.51
    acetylacetone 1393.84
    n-hexadecane 188.65
    acetophenone 948.09
    methyl propionate 1304.06
    isopentyl acetate 1303.54
    trichloroethylene 6923.83
    n-nonanol 637.84
    cyclohexanol 1627.01
    benzyl alcohol 760.75
    2-ethylhexanol 827.19
    isooctanol 503.75
    dipropyl ether 1313.69
    1,2-dichlorobenzene 1600.84
    ethyl lactate 478.89
    propylene carbonate 1826.67
    n-methylformamide 825.05
    2-pentanol 1061.15
    n-pentane 583.86
    1-propoxy-2-propanol 910.83
    1-methoxy-2-propyl acetate 918.55
    2-(2-methoxypropoxy) propanol 591.59
    mesitylene 474.07
    ε-caprolactone 2109.1
    p-cymene 455.86
    epichlorohydrin 3015.77
    1,1,1-trichloroethane 4216.36
    2-aminoethanol 376.77
    morpholine-4-carbaldehyde 1450.21
    sulfolane 2656.17
    2,2,4-trimethylpentane 245.19
    2-methyltetrahydrofuran 2377.15
    n-hexyl acetate 1410.64
    isooctane 164.41
    2-(2-butoxyethoxy)ethanol 772.24
    sec-butyl acetate 833.34
    tert-butyl acetate 993.1
    decalin 421.27
    glycerin 336.05
    diglyme 1555.55
    acrylic acid 924.0
    isopropyl myristate 558.52
    n-butyric acid 1803.35
    acetyl acetate 1239.21
    di(2-ethylhexyl) phthalate 393.0
    ethyl propionate 1093.89
    nitromethane 2158.96
    1,2-diethoxyethane 1337.1
    benzonitrile 1261.61
    trioctyl phosphate 343.03
    1-bromopropane 2658.05
    gamma-valerolactone 2149.22
    n-decanol 468.95
    triethyl phosphate 523.77
    4-methyl-2-pentanol 505.42
    propionitrile 1650.14
    vinylene carbonate 1620.99
    1,1,2-trichlorotrifluoroethane 1752.23
    DMS 857.08
    cumene 479.47
    2-octanol 542.69
    2-hexanone 1164.74
    octyl acetate 691.88
    limonene 709.18
    1,2-dimethoxyethane 1936.71
    ethyl orthosilicate 504.69
    tributyl phosphate 445.84
    diacetone alcohol 811.61
    N,N-dimethylaniline 703.69
    acrylonitrile 1547.97
    aniline 975.81
    1,3-propanediol 661.43
    bromobenzene 2050.95
    dibromomethane 5441.76
    1,1,2,2-tetrachloroethane 5901.99
    2-methyl-cyclohexyl acetate 820.4
    tetrabutyl urea 528.88
    diisobutyl methanol 449.66
    2-phenylethanol 675.45
    styrene 928.55
    dioctyl adipate 702.4
    dimethyl sulfate 809.34
    ethyl butyrate 1211.47
    methyl lactate 465.05
    butyl lactate 594.89
    diethyl carbonate 871.51
    propanediol butyl ether 635.56
    triethyl orthoformate 779.59
    p-tert-butyltoluene 434.67
    methyl 4-tert-butylbenzoate 741.55
    morpholine 2612.26
    tert-butylamine 1294.18
    n-dodecanol 366.69
    dimethoxymethane 1175.23
    ethylene carbonate 1509.35
    cyrene 612.27
    2-ethoxyethyl acetate 869.21
    2-ethylhexyl acetate 1075.85
    1,2,4-trichlorobenzene 1662.22
    4-methylpyridine 2005.85
    dibutyl ether 1208.18
    2,6-dimethyl-4-heptanol 449.66
    DEF 1649.73
    dimethyl isosorbide 999.81
    tetrachloroethylene 3820.01
    eugenol 626.66
    triacetin 891.67
    span 80 621.1
    1,4-butanediol 376.79
    1,1-dichloroethane 4560.04
    2-methyl-1-pentanol 844.34
    methyl formate 836.69
    2-methyl-1-butanol 1121.93
    n-decane 282.97
    butyronitrile 1969.08
    3,7-dimethyl-1-octanol 627.3
    1-chlorooctane 845.36
    1-chlorotetradecane 339.11
    n-nonane 328.51
    undecane 205.17
    tert-butylcyclohexane 357.28
    cyclooctane 400.94
    cyclopentanol 1423.63
    tetrahydropyran 3059.5
    tert-amyl methyl ether 1082.8
    2,5,8-trioxanonane 977.97
    1-hexene 1434.24
    2-isopropoxyethanol 749.46
    2,2,2-trifluoroethanol 537.0
    methyl butyrate 1590.14

    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