Furfural diethyl acetal

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  • Identifiers

    CAS number
    13529-27-6

    Molecular formula
    C9H14O3

    SMILES
    CCOC(C1=CC=CO1)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 74.04%
    Sweet 49.12%
    Earthy 44.24%
    Ethereal 43.89%
    Almond 38.06%
    Nutty 35.97%
    Spicy 35.27%
    Aromatic 32.93%
    Burnt 31.96%
    Caramellic 31.11%

     

    Flavor
    Fruity 47.7%
    Earthy 44.78%
    Green 42.9%
    Coffee 41.48%
    Vegetable 40.59%
    Nutty 38.53%
    Roasted 36.32%
    Sweet 35.37%
    Fatty 35.19%
    Musty 27.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.07 (neutral)

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 70.76 ˚C est.

  • Synonyms

    • 2-(Diethoxymethyl)furan
    • 13529-27-6
    • 2-Furaldehyde diethyl acetal
    • Furfural diethyl acetal
    • Furan, 2-(diethoxymethyl)-
    • 2-Furfural diethyl acetal
    • 2-Furaldehyde-diethylacetal
    • 04B3GME3IJ
    • 2-Furancarboxaldehyde diethyl acetal
    • EINECS 236-872-6
    • MFCD00003245
    • DTXSID10864418
    • 2-FURALDEHYDE, DIETHYL ACETAL
    • UNII-04B3GME3IJ
    • diethoxymethylfuran
    • 2-(diethoxymethyl) furan
    • 2-Furaldehyde diethylacetal
    • SCHEMBL574423
    • CHEBI:34769
    • DTXCID90812937
    • 2-Furaldehyde diethyl acetal, 97%
    • GEO-01441
    • AKOS005258305
    • AS-10402
    • FF149030
    • DB-042280
    • CS-0196701
    • F0929
    • NS00052354
    • D78414
    • Q27116263

  • Applications

    Furfural diethyl acetal (CAS 13529-27-6) is primarily used as a solvent and processing aid in industrial manufacturing, particularly in coatings, inks, and cleaning formulations; it also serves as a chemical intermediate in the synthesis of furfural- and furan-based resins and polymers, and can function as an aldehyde-protecting group in organic synthesis, with additional utility as a specialty solvent or diluent in adhesive formulations, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 721.73
    methanol 972.92
    isopropanol 491.73
    water 8.57
    ethyl acetate 418.6
    n-propanol 592.71
    acetone 753.92
    n-butanol 459.64
    acetonitrile 758.08
    DMF 1210.1
    toluene 345.7
    isobutanol 432.52
    1,4-dioxane 789.02
    methyl acetate 539.99
    THF 904.9
    2-butanone 511.76
    n-pentanol 367.6
    sec-butanol 470.69
    n-hexane 80.34
    ethylene glycol 301.71
    NMP 975.17
    cyclohexane 279.7
    DMSO 1254.81
    n-butyl acetate 373.02
    n-octanol 289.41
    chloroform 3895.06
    n-propyl acetate 342.56
    acetic acid 1071.51
    dichloromethane 4132.88
    cyclohexanone 875.85
    propylene glycol 287.33
    isopropyl acetate 214.39
    DMAc 865.97
    2-ethoxyethanol 525.79
    isopentanol 305.42
    n-heptane 98.12
    ethyl formate 597.25
    1,2-dichloroethane 1628.84
    n-hexanol 338.8
    2-methoxyethanol 832.08
    isobutyl acetate 206.97
    tetrachloromethane 606.58
    n-pentyl acetate 293.45
    transcutol 683.64
    n-heptanol 216.28
    ethylbenzene 263.59
    MIBK 186.95
    2-propoxyethanol 434.29
    tert-butanol 459.89
    MTBE 263.62
    2-butoxyethanol 314.1
    propionic acid 659.01
    o-xylene 257.67
    formic acid 372.29
    diethyl ether 292.8
    m-xylene 189.49
    p-xylene 400.3
    chlorobenzene 871.08
    dimethyl carbonate 249.74
    n-octane 57.11
    formamide 530.31
    cyclopentanone 864.56
    2-pentanone 323.59
    anisole 453.94
    cyclopentyl methyl ether 361.73
    gamma-butyrolactone 1067.04
    1-methoxy-2-propanol 493.46
    pyridine 1316.79
    3-pentanone 292.6
    furfural 1293.28
    n-dodecane 56.7
    diethylene glycol 379.2
    diisopropyl ether 90.15
    tert-amyl alcohol 401.75
    acetylacetone 378.0
    n-hexadecane 61.61
    acetophenone 470.65
    methyl propionate 390.4
    isopentyl acetate 295.58
    trichloroethylene 2994.11
    n-nonanol 243.98
    cyclohexanol 551.33
    benzyl alcohol 500.05
    2-ethylhexanol 240.54
    isooctanol 174.42
    dipropyl ether 233.39
    1,2-dichlorobenzene 808.06
    ethyl lactate 248.8
    propylene carbonate 757.61
    n-methylformamide 709.32
    2-pentanol 262.55
    n-pentane 87.65
    1-propoxy-2-propanol 323.9
    1-methoxy-2-propyl acetate 261.47
    2-(2-methoxypropoxy) propanol 290.07
    mesitylene 130.1
    ε-caprolactone 726.86
    p-cymene 184.67
    epichlorohydrin 1233.16
    1,1,1-trichloroethane 1368.67
    2-aminoethanol 447.18
    morpholine-4-carbaldehyde 796.32
    sulfolane 1304.37
    2,2,4-trimethylpentane 52.06
    2-methyltetrahydrofuran 591.72
    n-hexyl acetate 430.71
    isooctane 28.02
    2-(2-butoxyethoxy)ethanol 356.62
    sec-butyl acetate 186.41
    tert-butyl acetate 191.39
    decalin 107.26
    glycerin 362.3
    diglyme 734.98
    acrylic acid 689.78
    isopropyl myristate 185.5
    n-butyric acid 693.21
    acetyl acetate 319.29
    di(2-ethylhexyl) phthalate 205.25
    ethyl propionate 303.98
    nitromethane 1178.26
    1,2-diethoxyethane 303.58
    benzonitrile 792.49
    trioctyl phosphate 157.06
    1-bromopropane 795.48
    gamma-valerolactone 939.68
    n-decanol 183.48
    triethyl phosphate 203.21
    4-methyl-2-pentanol 132.6
    propionitrile 624.98
    vinylene carbonate 867.8
    1,1,2-trichlorotrifluoroethane 973.5
    DMS 314.77
    cumene 179.43
    2-octanol 187.13
    2-hexanone 297.38
    octyl acetate 257.73
    limonene 249.56
    1,2-dimethoxyethane 883.66
    ethyl orthosilicate 184.47
    tributyl phosphate 181.9
    diacetone alcohol 251.42
    N,N-dimethylaniline 325.64
    acrylonitrile 875.29
    aniline 495.5
    1,3-propanediol 479.73
    bromobenzene 975.26
    dibromomethane 2459.09
    1,1,2,2-tetrachloroethane 2218.7
    2-methyl-cyclohexyl acetate 281.88
    tetrabutyl urea 254.55
    diisobutyl methanol 129.31
    2-phenylethanol 350.44
    styrene 382.22
    dioctyl adipate 311.33
    dimethyl sulfate 398.25
    ethyl butyrate 335.47
    methyl lactate 273.36
    butyl lactate 246.28
    diethyl carbonate 306.32
    propanediol butyl ether 313.66
    triethyl orthoformate 235.83
    p-tert-butyltoluene 162.13
    methyl 4-tert-butylbenzoate 356.38
    morpholine 832.27
    tert-butylamine 322.52
    n-dodecanol 150.31
    dimethoxymethane 538.53
    ethylene carbonate 654.26
    cyrene 346.05
    2-ethoxyethyl acetate 300.59
    2-ethylhexyl acetate 252.52
    1,2,4-trichlorobenzene 887.77
    4-methylpyridine 974.4
    dibutyl ether 263.35
    2,6-dimethyl-4-heptanol 129.31
    DEF 500.25
    dimethyl isosorbide 447.34
    tetrachloroethylene 1653.84
    eugenol 333.89
    triacetin 379.41
    span 80 309.29
    1,4-butanediol 299.73
    1,1-dichloroethane 1449.27
    2-methyl-1-pentanol 291.33
    methyl formate 663.78
    2-methyl-1-butanol 349.47
    n-decane 83.0
    butyronitrile 610.64
    3,7-dimethyl-1-octanol 223.28
    1-chlorooctane 263.79
    1-chlorotetradecane 121.97
    n-nonane 84.26
    undecane 65.01
    tert-butylcyclohexane 76.65
    cyclooctane 73.12
    cyclopentanol 639.6
    tetrahydropyran 685.96
    tert-amyl methyl ether 212.82
    2,5,8-trioxanonane 509.01
    1-hexene 251.52
    2-isopropoxyethanol 315.84
    2,2,2-trifluoroethanol 364.23
    methyl butyrate 493.92

    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