(Diethoxymethyl)benzene

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  • Identifiers

    CAS number
    774-48-1

    Molecular formula
    C11H16O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.86%
    Green 72.83%
    Spicy 57.93%
    Almond 57.35%
    Fruity 52.92%
    Floral 49.05%
    Herbal 48.64%
    Bitter 48.22%
    Cherry 39.79%
    Anisic 38.17%

     

    Flavor
    Fruity 72.84%
    Green 64.79%
    Floral 63.47%
    Earthy 46.25%
    Rose 35.6%
    Sweet 33.14%
    Wine 33.02%
    Mushroom 31.29%
    Pineapple 31.1%
    Spicy 30.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.47 (neutral)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 83.43 ˚C est.

  • Synonyms

    • (Diethoxymethyl)benzene
    • Benzaldehyde Diethyl Acetal
    • 774-48-1
    • Benzene, (diethoxymethyl)-
    • diethoxymethylbenzene
    • Benzaldehyde diethylacetal
    • Benzaldehyde, diethyl acetal
    • alpha,alpha-Diethoxytoluene
    • Toluene, alpha,alpha-diethoxy-
    • NSC 287
    • NSC-287
    • EINECS 212-265-1
    • ETHYL PHENYL ACETAL
    • DIETHOXYPHENYLMETHANE
    • 236M0R125W
    • DTXSID4061127
    • DIETHYL BENZALDEHYDE ACETAL
    • NSC287
    • UNII-236M0R125W
    • MFCD00038525
    • (Diethoxymethyl)benzene #
    • Toluene,.alpha.-diethoxy-
    • SCHEMBL27191
    • DTXCID3047974
    • Toluene, .alpha.,.alpha.-diethoxy-
    • AKOS022172374
    • AS-57967
    • DB-022537
    • B1893
    • CS-0207121
    • NS00022777
    • D88872
    • Q27253721

  • Applications

    Diethoxymethylbenzene (CAS 774-48-1) is primarily used as an intermediate in organic synthesis, particularly in fragrance chemistry where it serves as a precursor to aroma compounds and benzaldehyde-related materials. It is also viewed as a building block for specialty chemicals used in plastics and polymers, and can act as a precursor for coating and ink systems involving fragrance-related additives or functional aromatics. In addition, it may be evaluated for applications in cosmetics and personal care in fragrance-related roles, as well as an intermediary in industrial manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1389.36
    methanol 1180.33
    isopropanol 1133.08
    water 3.03
    ethyl acetate 1503.23
    n-propanol 1250.42
    acetone 2172.73
    n-butanol 1144.91
    acetonitrile 2193.76
    DMF 1983.86
    toluene 899.64
    isobutanol 1064.57
    1,4-dioxane 2141.62
    methyl acetate 1411.35
    THF 2239.01
    2-butanone 1472.43
    n-pentanol 891.42
    sec-butanol 1121.97
    n-hexane 540.18
    ethylene glycol 302.73
    NMP 1821.81
    cyclohexane 1103.33
    DMSO 2005.33
    n-butyl acetate 1468.16
    n-octanol 803.62
    chloroform 10216.95
    n-propyl acetate 1224.65
    acetic acid 1989.88
    dichloromethane 9517.55
    cyclohexanone 2563.7
    propylene glycol 375.7
    isopropyl acetate 771.86
    DMAc 1489.47
    2-ethoxyethanol 924.37
    isopentanol 861.07
    n-heptane 485.45
    ethyl formate 1463.92
    1,2-dichloroethane 4739.25
    n-hexanol 964.93
    2-methoxyethanol 1214.16
    isobutyl acetate 697.64
    tetrachloromethane 1652.03
    n-pentyl acetate 886.88
    transcutol 1611.91
    n-heptanol 573.96
    ethylbenzene 661.71
    MIBK 608.49
    2-propoxyethanol 932.89
    tert-butanol 1161.15
    MTBE 982.38
    2-butoxyethanol 682.35
    propionic acid 1337.57
    o-xylene 564.93
    formic acid 368.29
    diethyl ether 1297.58
    m-xylene 526.07
    p-xylene 927.55
    chlorobenzene 1981.58
    dimethyl carbonate 619.14
    n-octane 231.0
    formamide 633.49
    cyclopentanone 2373.47
    2-pentanone 1179.4
    anisole 1007.2
    cyclopentyl methyl ether 1162.76
    gamma-butyrolactone 2741.21
    1-methoxy-2-propanol 905.91
    pyridine 2689.42
    3-pentanone 1033.22
    furfural 2247.29
    n-dodecane 163.2
    diethylene glycol 606.4
    diisopropyl ether 384.3
    tert-amyl alcohol 992.07
    acetylacetone 1154.58
    n-hexadecane 182.16
    acetophenone 1006.15
    methyl propionate 1158.35
    isopentyl acetate 1044.64
    trichloroethylene 7730.92
    n-nonanol 643.68
    cyclohexanol 1420.71
    benzyl alcohol 844.23
    2-ethylhexanol 707.91
    isooctanol 461.63
    dipropyl ether 1070.19
    1,2-dichlorobenzene 1878.81
    ethyl lactate 524.55
    propylene carbonate 1981.89
    n-methylformamide 1142.22
    2-pentanol 781.46
    n-pentane 428.6
    1-propoxy-2-propanol 801.57
    1-methoxy-2-propyl acetate 742.29
    2-(2-methoxypropoxy) propanol 561.6
    mesitylene 378.83
    ε-caprolactone 1977.94
    p-cymene 451.48
    epichlorohydrin 2901.86
    1,1,1-trichloroethane 3992.32
    2-aminoethanol 555.14
    morpholine-4-carbaldehyde 1421.21
    sulfolane 2854.34
    2,2,4-trimethylpentane 175.74
    2-methyltetrahydrofuran 1776.32
    n-hexyl acetate 1291.86
    isooctane 119.85
    2-(2-butoxyethoxy)ethanol 735.23
    sec-butyl acetate 653.42
    tert-butyl acetate 662.94
    decalin 337.99
    glycerin 445.29
    diglyme 1524.27
    acrylic acid 1204.85
    isopropyl myristate 520.87
    n-butyric acid 1760.51
    acetyl acetate 970.14
    di(2-ethylhexyl) phthalate 393.08
    ethyl propionate 1011.31
    nitromethane 2445.22
    1,2-diethoxyethane 1002.19
    benzonitrile 1605.54
    trioctyl phosphate 340.6
    1-bromopropane 2641.25
    gamma-valerolactone 2021.79
    n-decanol 464.82
    triethyl phosphate 527.23
    4-methyl-2-pentanol 370.48
    propionitrile 1698.2
    vinylene carbonate 1922.32
    1,1,2-trichlorotrifluoroethane 1953.65
    DMS 797.63
    cumene 439.92
    2-octanol 516.41
    2-hexanone 1053.59
    octyl acetate 677.02
    limonene 656.91
    1,2-dimethoxyethane 1735.92
    ethyl orthosilicate 485.24
    tributyl phosphate 443.44
    diacetone alcohol 632.73
    N,N-dimethylaniline 684.12
    acrylonitrile 1836.58
    aniline 1044.14
    1,3-propanediol 731.61
    bromobenzene 2334.56
    dibromomethane 6450.72
    1,1,2,2-tetrachloroethane 6284.78
    2-methyl-cyclohexyl acetate 745.34
    tetrabutyl urea 555.23
    diisobutyl methanol 387.42
    2-phenylethanol 691.14
    styrene 961.45
    dioctyl adipate 729.47
    dimethyl sulfate 868.34
    ethyl butyrate 1170.41
    methyl lactate 530.0
    butyl lactate 618.0
    diethyl carbonate 909.35
    propanediol butyl ether 656.49
    triethyl orthoformate 731.05
    p-tert-butyltoluene 410.48
    methyl 4-tert-butylbenzoate 740.38
    morpholine 2096.29
    tert-butylamine 952.3
    n-dodecanol 374.15
    dimethoxymethane 1167.11
    ethylene carbonate 1656.2
    cyrene 578.55
    2-ethoxyethyl acetate 789.19
    2-ethylhexyl acetate 852.19
    1,2,4-trichlorobenzene 1895.67
    4-methylpyridine 2186.22
    dibutyl ether 1042.34
    2,6-dimethyl-4-heptanol 387.42
    DEF 1413.35
    dimethyl isosorbide 902.26
    tetrachloroethylene 4186.51
    eugenol 665.73
    triacetin 862.45
    span 80 618.77
    1,4-butanediol 456.19
    1,1-dichloroethane 4634.04
    2-methyl-1-pentanol 717.95
    methyl formate 1120.01
    2-methyl-1-butanol 910.08
    n-decane 277.24
    butyronitrile 1913.37
    3,7-dimethyl-1-octanol 572.95
    1-chlorooctane 894.16
    1-chlorotetradecane 344.6
    n-nonane 319.85
    undecane 200.52
    tert-butylcyclohexane 269.78
    cyclooctane 308.64
    cyclopentanol 1382.44
    tetrahydropyran 2402.5
    tert-amyl methyl ether 698.79
    2,5,8-trioxanonane 968.29
    1-hexene 1118.37
    2-isopropoxyethanol 641.37
    2,2,2-trifluoroethanol 649.27
    methyl butyrate 1583.16

    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