Furfural propyleneglycol acetal

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  • Identifiers

    CAS number
    4359-54-0

    Molecular formula
    C8H10O3

    SMILES
    CC1COC(O1)C2=CC=CO2

  • Odor profile

    Fragrance
    Fruity 82.04%
    Sweet 79.5%
    Almond 42.03%
    Ethereal 40.01%
    Caramellic 38.11%
    Fresh 37.8%
    Cherry 32.17%
    Aromatic 30.96%
    Green 28.68%
    Nutty 28.54%

     

    Flavor
    Nutty 48.36%
    Sweet 48.19%
    Bitter 45.27%
    Coffee 44.96%
    Caramel 38.1%
    Roasted 35.61%
    Musty 30.63%
    Bread 29.97%
    Vegetable 29.15%
    Burnt 27.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.0 (weak acid)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 78.26 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 4359-54-0
    • 1,3-Dioxolane, 2-(2-furanyl)-4-methyl-
    • 2-(2-Furyl)-4-methyl-1,3-dioxolane
    • Furfural propylene glycol acetal
    • Furfural propyleneglycol acetal
    • 2-(furan-2-yl)-4-methyl-1,3-dioxolane
    • MM0LXA62DL
    • EINECS 224-437-3
    • NSC 75455
    • NSC-75455
    • AI3-22421
    • FEMA NO. 4537
    • DTXSID40863378
    • 1,3-DIOXOLANE, 2-(2-FURYL)-4-METHYL-
    • (+/-)-2-(2-FURYL)-4-METHYL-1,3-DIOXOLANE
    • 2-(2-FURYL)-4-METHYL-1,3-DIOXOLANE, (+/-)-
    • UNII-MM0LXA62DL
    • NSC75455
    • SCHEMBL13380958
    • DTXCID20812006
    • 1, 2-(2-furanyl)-4-methyl-
    • 2-furyl-4-methyl-1,3-dioxolane
    • DB-259965
    • NS00045841
    • Q27284108
    • 224-437-3

  • Applications

    Furfural propyleneglycol acetal (CAS 4359-54-0) is primarily used as an intermediate and solvent in industrial processing; it is commonly employed as an intermediate to synthesize furfuryl-based plastics and polymers, and can serve as a solvent or co-solvent in coatings, inks, and finishes; in coatings and adhesives it can act as a reactive diluent or processing aid to improve workability and resin properties; in perfumery and fragrances it may be considered an odorant component or fragrance precursor for odor stabilization and tuning; and in other industrial contexts it may be evaluated as a processing solvent or adjunct in plastics and adhesive manufacture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 309.11
    methanol 473.25
    isopropanol 171.53
    water 41.74
    ethyl acetate 70.57
    n-propanol 199.78
    acetone 161.49
    n-butanol 151.4
    acetonitrile 203.19
    DMF 399.0
    toluene 56.65
    isobutanol 136.06
    1,4-dioxane 194.91
    methyl acetate 107.52
    THF 209.17
    2-butanone 114.98
    n-pentanol 130.83
    sec-butanol 144.52
    n-hexane 5.24
    ethylene glycol 224.89
    NMP 258.0
    cyclohexane 18.95
    DMSO 479.46
    n-butyl acetate 63.23
    n-octanol 91.79
    chloroform 517.94
    n-propyl acetate 66.64
    acetic acid 327.89
    dichloromethane 582.47
    cyclohexanone 157.7
    propylene glycol 185.75
    isopropyl acetate 41.76
    DMAc 333.53
    2-ethoxyethanol 255.28
    isopentanol 109.25
    n-heptane 11.13
    ethyl formate 135.35
    1,2-dichloroethane 209.65
    n-hexanol 99.7
    2-methoxyethanol 371.4
    isobutyl acetate 48.56
    tetrachloromethane 50.24
    n-pentyl acetate 51.96
    transcutol 370.25
    n-heptanol 68.09
    ethylbenzene 46.67
    MIBK 55.96
    2-propoxyethanol 179.89
    tert-butanol 156.82
    MTBE 67.06
    2-butoxyethanol 130.24
    propionic acid 173.46
    o-xylene 61.42
    formic acid 206.1
    diethyl ether 58.06
    m-xylene 46.44
    p-xylene 73.06
    chlorobenzene 114.31
    dimethyl carbonate 62.45
    n-octane 7.04
    formamide 264.39
    cyclopentanone 171.47
    2-pentanone 72.18
    anisole 115.92
    cyclopentyl methyl ether 79.33
    gamma-butyrolactone 201.56
    1-methoxy-2-propanol 229.1
    pyridine 227.82
    3-pentanone 59.62
    furfural 306.1
    n-dodecane 10.38
    diethylene glycol 218.57
    diisopropyl ether 19.21
    tert-amyl alcohol 129.38
    acetylacetone 92.96
    n-hexadecane 11.25
    acetophenone 125.12
    methyl propionate 82.48
    isopentyl acetate 59.43
    trichloroethylene 411.08
    n-nonanol 80.3
    cyclohexanol 117.05
    benzyl alcohol 147.18
    2-ethylhexanol 63.46
    isooctanol 56.59
    dipropyl ether 48.97
    1,2-dichlorobenzene 118.69
    ethyl lactate 83.93
    propylene carbonate 144.88
    n-methylformamide 250.39
    2-pentanol 77.84
    n-pentane 7.85
    1-propoxy-2-propanol 122.81
    1-methoxy-2-propyl acetate 74.01
    2-(2-methoxypropoxy) propanol 150.04
    mesitylene 32.49
    ε-caprolactone 129.73
    p-cymene 43.03
    epichlorohydrin 244.97
    1,1,1-trichloroethane 139.16
    2-aminoethanol 266.32
    morpholine-4-carbaldehyde 276.52
    sulfolane 285.34
    2,2,4-trimethylpentane 8.51
    2-methyltetrahydrofuran 124.8
    n-hexyl acetate 91.34
    isooctane 6.03
    2-(2-butoxyethoxy)ethanol 184.52
    sec-butyl acetate 41.08
    tert-butyl acetate 46.92
    decalin 12.41
    glycerin 256.33
    diglyme 298.59
    acrylic acid 198.0
    isopropyl myristate 48.13
    n-butyric acid 154.01
    acetyl acetate 59.26
    di(2-ethylhexyl) phthalate 67.04
    ethyl propionate 60.57
    nitromethane 332.17
    1,2-diethoxyethane 82.93
    benzonitrile 164.45
    trioctyl phosphate 47.68
    1-bromopropane 97.67
    gamma-valerolactone 221.47
    n-decanol 66.18
    triethyl phosphate 50.49
    4-methyl-2-pentanol 51.09
    propionitrile 140.24
    vinylene carbonate 168.52
    1,1,2-trichlorotrifluoroethane 247.37
    DMS 71.75
    cumene 41.55
    2-octanol 48.68
    2-hexanone 69.91
    octyl acetate 65.66
    limonene 52.6
    1,2-dimethoxyethane 273.06
    ethyl orthosilicate 45.33
    tributyl phosphate 50.2
    diacetone alcohol 93.34
    N,N-dimethylaniline 100.08
    acrylonitrile 227.62
    aniline 116.34
    1,3-propanediol 244.38
    bromobenzene 110.41
    dibromomethane 323.9
    1,1,2,2-tetrachloroethane 291.0
    2-methyl-cyclohexyl acetate 69.15
    tetrabutyl urea 75.81
    diisobutyl methanol 39.65
    2-phenylethanol 107.47
    styrene 60.38
    dioctyl adipate 81.64
    dimethyl sulfate 114.94
    ethyl butyrate 65.39
    methyl lactate 103.95
    butyl lactate 69.24
    diethyl carbonate 61.34
    propanediol butyl ether 154.23
    triethyl orthoformate 55.28
    p-tert-butyltoluene 39.14
    methyl 4-tert-butylbenzoate 111.23
    morpholine 212.3
    tert-butylamine 96.28
    n-dodecanol 56.38
    dimethoxymethane 184.59
    ethylene carbonate 119.43
    cyrene 149.69
    2-ethoxyethyl acetate 71.06
    2-ethylhexyl acetate 47.05
    1,2,4-trichlorobenzene 144.3
    4-methylpyridine 181.68
    dibutyl ether 54.14
    2,6-dimethyl-4-heptanol 39.65
    DEF 134.58
    dimethyl isosorbide 165.87
    tetrachloroethylene 195.44
    eugenol 126.02
    triacetin 109.54
    span 80 126.4
    1,4-butanediol 162.2
    1,1-dichloroethane 181.3
    2-methyl-1-pentanol 102.85
    methyl formate 197.32
    2-methyl-1-butanol 108.47
    n-decane 13.49
    butyronitrile 138.33
    3,7-dimethyl-1-octanol 79.55
    1-chlorooctane 48.06
    1-chlorotetradecane 26.89
    n-nonane 11.89
    undecane 11.49
    tert-butylcyclohexane 10.81
    cyclooctane 7.49
    cyclopentanol 141.55
    tetrahydropyran 117.61
    tert-amyl methyl ether 57.64
    2,5,8-trioxanonane 244.88
    1-hexene 25.0
    2-isopropoxyethanol 149.23
    2,2,2-trifluoroethanol 132.23
    methyl butyrate 95.61

    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