Furan, 3-methoxy-2,5-dimethyl-

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  • Identifiers

    CAS number
    57556-12-4

    Molecular formula
    C7H10O2

    SMILES
    CC1=CC(=C(O1)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 62.0%
    Nutty 57.32%
    Roasted 53.71%
    Burnt 51.3%
    Earthy 48.71%
    Musty 48.45%
    Phenolic 47.7%
    Spicy 41.8%
    Coffee 39.99%
    Caramellic 39.93%

     

    Flavor
    Roasted 46.14%
    Nutty 46.11%
    Burnt 45.01%
    Earthy 42.35%
    Musty 40.41%
    Coffee 39.24%
    Phenolic 34.16%
    Sweet 32.36%
    Smoke 31.83%
    Smoky 31.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.68 (neutral)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 36.55 ˚C est.

  • Synonyms

    • Furan, 3-methoxy-2,5-dimethyl-
    • 3-methoxy-2,5-dimethylfuran
    • 57556-12-4
    • Furan,3-methoxy-2,5-dimethyl-
    • SCHEMBL11131991
    • DTXSID00206186
    • AKOS015905750
    • 57556-12-4

  • Applications

    Furan, 3-methoxy-2,5-dimethyl- (CAS 57556-12-4) is primarily used as an aroma compound and fragrance intermediate in the fragrance and flavor industries; it also serves as an intermediate in the synthesis of refined aroma chemicals and other complex organic compounds; it acts as a building block or precursor for specialty polymers and plastics; it participates in coatings and inks formulations as a reactive intermediate or functional additive; it may be considered in cosmetics and personal care as a fragrance ingredient and in R&D to develop new furan-based derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1982.35
    methanol 2751.89
    isopropanol 1518.33
    water 158.13
    ethyl acetate 1557.89
    n-propanol 1751.0
    acetone 1920.94
    n-butanol 1549.87
    acetonitrile 2115.97
    DMF 2422.47
    toluene 903.09
    isobutanol 1375.1
    1,4-dioxane 3155.42
    methyl acetate 1463.69
    THF 3227.14
    2-butanone 1343.51
    n-pentanol 1018.3
    sec-butanol 1455.16
    n-hexane 541.56
    ethylene glycol 1067.93
    NMP 1662.66
    cyclohexane 766.94
    DMSO 1975.32
    n-butyl acetate 572.64
    n-octanol 505.06
    chloroform 3877.64
    n-propyl acetate 681.95
    acetic acid 1587.82
    dichloromethane 4492.05
    cyclohexanone 1632.91
    propylene glycol 833.5
    isopropyl acetate 819.39
    DMAc 1622.29
    2-ethoxyethanol 1849.28
    isopentanol 1121.71
    n-heptane 290.79
    ethyl formate 948.83
    1,2-dichloroethane 2294.71
    n-hexanol 877.24
    2-methoxyethanol 3071.68
    isobutyl acetate 415.42
    tetrachloromethane 1206.53
    n-pentyl acetate 468.28
    transcutol 1650.38
    n-heptanol 399.55
    ethylbenzene 453.52
    MIBK 713.15
    2-propoxyethanol 1493.29
    tert-butanol 1741.69
    MTBE 1586.44
    2-butoxyethanol 617.62
    propionic acid 1207.69
    o-xylene 589.12
    formic acid 1029.43
    diethyl ether 2294.62
    m-xylene 646.67
    p-xylene 572.08
    chlorobenzene 1003.37
    dimethyl carbonate 726.15
    n-octane 138.79
    formamide 1155.47
    cyclopentanone 1790.47
    2-pentanone 1227.29
    anisole 950.09
    cyclopentyl methyl ether 1929.76
    gamma-butyrolactone 2075.7
    1-methoxy-2-propanol 1897.37
    pyridine 1450.96
    3-pentanone 1071.92
    furfural 1575.53
    n-dodecane 105.45
    diethylene glycol 1285.77
    diisopropyl ether 678.36
    tert-amyl alcohol 1458.47
    acetylacetone 1249.07
    n-hexadecane 117.19
    acetophenone 616.38
    methyl propionate 1322.55
    isopentyl acetate 474.22
    trichloroethylene 3101.44
    n-nonanol 421.57
    cyclohexanol 1457.47
    benzyl alcohol 685.05
    2-ethylhexanol 478.85
    isooctanol 331.3
    dipropyl ether 729.07
    1,2-dichlorobenzene 904.09
    ethyl lactate 404.83
    propylene carbonate 969.58
    n-methylformamide 1515.89
    2-pentanol 1112.27
    n-pentane 523.4
    1-propoxy-2-propanol 808.14
    1-methoxy-2-propyl acetate 625.68
    2-(2-methoxypropoxy) propanol 498.52
    mesitylene 468.59
    ε-caprolactone 1359.84
    p-cymene 272.4
    epichlorohydrin 2651.32
    1,1,1-trichloroethane 2196.57
    2-aminoethanol 1346.07
    morpholine-4-carbaldehyde 2021.18
    sulfolane 2046.34
    2,2,4-trimethylpentane 276.27
    2-methyltetrahydrofuran 2539.28
    n-hexyl acetate 715.45
    isooctane 188.08
    2-(2-butoxyethoxy)ethanol 672.18
    sec-butyl acetate 457.99
    tert-butyl acetate 837.01
    decalin 287.27
    glycerin 1192.47
    diglyme 1352.4
    acrylic acid 1031.33
    isopropyl myristate 301.76
    n-butyric acid 1242.62
    acetyl acetate 848.45
    di(2-ethylhexyl) phthalate 232.06
    ethyl propionate 780.97
    nitromethane 2273.08
    1,2-diethoxyethane 752.08
    benzonitrile 782.28
    trioctyl phosphate 196.26
    1-bromopropane 1540.17
    gamma-valerolactone 2040.18
    n-decanol 304.91
    triethyl phosphate 300.92
    4-methyl-2-pentanol 558.64
    propionitrile 1448.91
    vinylene carbonate 961.49
    1,1,2-trichlorotrifluoroethane 1422.96
    DMS 581.91
    cumene 353.41
    2-octanol 361.33
    2-hexanone 674.4
    octyl acetate 367.53
    limonene 409.34
    1,2-dimethoxyethane 2435.17
    ethyl orthosilicate 300.31
    tributyl phosphate 238.6
    diacetone alcohol 856.12
    N,N-dimethylaniline 617.69
    acrylonitrile 1596.7
    aniline 903.64
    1,3-propanediol 1648.76
    bromobenzene 1059.19
    dibromomethane 2922.46
    1,1,2,2-tetrachloroethane 2429.97
    2-methyl-cyclohexyl acetate 398.88
    tetrabutyl urea 301.56
    diisobutyl methanol 285.88
    2-phenylethanol 527.93
    styrene 552.94
    dioctyl adipate 371.66
    dimethyl sulfate 1004.03
    ethyl butyrate 516.85
    methyl lactate 648.77
    butyl lactate 306.98
    diethyl carbonate 369.84
    propanediol butyl ether 516.02
    triethyl orthoformate 384.65
    p-tert-butyltoluene 283.28
    methyl 4-tert-butylbenzoate 553.4
    morpholine 2976.97
    tert-butylamine 1265.38
    n-dodecanol 241.85
    dimethoxymethane 2176.4
    ethylene carbonate 905.56
    cyrene 561.74
    2-ethoxyethyl acetate 572.77
    2-ethylhexyl acetate 408.97
    1,2,4-trichlorobenzene 962.0
    4-methylpyridine 1362.77
    dibutyl ether 573.78
    2,6-dimethyl-4-heptanol 285.88
    DEF 1415.03
    dimethyl isosorbide 806.63
    tetrachloroethylene 1844.87
    eugenol 463.66
    triacetin 518.91
    span 80 418.73
    1,4-butanediol 819.22
    1,1-dichloroethane 2425.48
    2-methyl-1-pentanol 809.75
    methyl formate 1284.74
    2-methyl-1-butanol 1225.48
    n-decane 168.57
    butyronitrile 1272.42
    3,7-dimethyl-1-octanol 437.18
    1-chlorooctane 445.99
    1-chlorotetradecane 197.39
    n-nonane 186.11
    undecane 126.74
    tert-butylcyclohexane 281.48
    cyclooctane 317.73
    cyclopentanol 1564.32
    tetrahydropyran 2539.84
    tert-amyl methyl ether 1273.62
    2,5,8-trioxanonane 837.88
    1-hexene 877.93
    2-isopropoxyethanol 1073.85
    2,2,2-trifluoroethanol 728.06
    methyl butyrate 901.04

    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