3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester

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  • Identifiers

    CAS number
    109176-12-7

    Molecular formula
    C11H18O3

    SMILES
    CCCC1CC(=C(O1)C)C(=O)OCC

  • Odor profile

    Fragrance
    Herbal 67.78%
    Floral 56.27%
    Celery 42.64%
    Jasmin 40.02%
    Mint 39.02%
    Fruity 37.48%
    Sweet 34.42%
    Spicy 31.58%
    Lactonic 29.09%
    Chamomile 28.96%

     

    Flavor
    Fruity 79.16%
    Tropical 34.1%
    Fruit 33.07%
    Pineapple 32.88%
    Berry 32.82%
    Grape 28.78%
    Sweet 28.22%
    Herbal 27.12%
    Apple 25.84%
    Minty 25.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.06 (weak base)

    Molecular weight
    198.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 102.78 ˚C est.

  • Synonyms

    • 109176-12-7
    • 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
    • Ethyl 4-carboethoxy-5-methyl-2-propyl-2,3-dihydrofuran
    • DTXSID50869503
    • SCHEMBL9330879
    • DTXCID60817479
    • 2 -propyl-4-carbethoxy-5-methyl-2,3-dihydrofuran

  • Applications

    3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester (CAS 109176-12-7) is used as an organic synthesis intermediate and building block in several specialty chemical applications. In perfumery and flavor industries, the dihydro furan ester can contribute aroma notes and is commonly evaluated as a fragrance ingredient or odor precursor; in cosmetics and personal care, it may be used as a fragrance component within formulations; in household products, it serves as a fragrance additive for detergents and cleaners; in industrial manufacturing and polymers, it functions as a precursor to furan-based monomers and resin modifiers for specialty polymers; in pharmaceuticals and agrochemicals, it is employed as an intermediate in the synthesis of more complex molecules for research and development, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1153.16
    methanol 1464.27
    isopropanol 1046.38
    water 0.91
    ethyl acetate 1028.09
    n-propanol 983.8
    acetone 1622.1
    n-butanol 980.69
    acetonitrile 1359.8
    DMF 1809.84
    toluene 750.26
    isobutanol 825.91
    1,4-dioxane 1478.8
    methyl acetate 960.42
    THF 2151.09
    2-butanone 1161.2
    n-pentanol 647.93
    sec-butanol 935.39
    n-hexane 58.53
    ethylene glycol 227.73
    NMP 1880.36
    cyclohexane 175.58
    DMSO 1675.83
    n-butyl acetate 690.07
    n-octanol 262.93
    chloroform 6037.1
    n-propyl acetate 565.93
    acetic acid 1613.48
    dichloromethane 5215.47
    cyclohexanone 2119.89
    propylene glycol 375.2
    isopropyl acetate 682.55
    DMAc 1326.76
    2-ethoxyethanol 631.39
    isopentanol 853.14
    n-heptane 25.41
    ethyl formate 827.23
    1,2-dichloroethane 2342.46
    n-hexanol 587.51
    2-methoxyethanol 1170.92
    isobutyl acetate 386.42
    tetrachloromethane 558.25
    n-pentyl acetate 451.98
    transcutol 1617.06
    n-heptanol 219.88
    ethylbenzene 332.82
    MIBK 569.1
    2-propoxyethanol 804.43
    tert-butanol 1083.47
    MTBE 752.6
    2-butoxyethanol 404.57
    propionic acid 973.13
    o-xylene 394.78
    formic acid 439.75
    diethyl ether 742.08
    m-xylene 446.65
    p-xylene 473.06
    chlorobenzene 1469.64
    dimethyl carbonate 396.26
    n-octane 15.24
    formamide 577.9
    cyclopentanone 2016.96
    2-pentanone 951.85
    anisole 636.43
    cyclopentyl methyl ether 956.6
    gamma-butyrolactone 2362.64
    1-methoxy-2-propanol 907.54
    pyridine 2056.49
    3-pentanone 647.97
    furfural 1933.52
    n-dodecane 18.7
    diethylene glycol 586.47
    diisopropyl ether 205.9
    tert-amyl alcohol 831.83
    acetylacetone 1078.63
    n-hexadecane 22.77
    acetophenone 667.74
    methyl propionate 738.83
    isopentyl acetate 621.6
    trichloroethylene 5095.19
    n-nonanol 217.74
    cyclohexanol 1159.32
    benzyl alcohol 677.47
    2-ethylhexanol 296.22
    isooctanol 186.3
    dipropyl ether 230.18
    1,2-dichlorobenzene 1174.28
    ethyl lactate 292.02
    propylene carbonate 1374.76
    n-methylformamide 880.87
    2-pentanol 628.89
    n-pentane 57.15
    1-propoxy-2-propanol 520.69
    1-methoxy-2-propyl acetate 599.66
    2-(2-methoxypropoxy) propanol 445.92
    mesitylene 254.55
    ε-caprolactone 1565.72
    p-cymene 175.49
    epichlorohydrin 2424.9
    1,1,1-trichloroethane 2281.16
    2-aminoethanol 477.54
    morpholine-4-carbaldehyde 1445.36
    sulfolane 2395.9
    2,2,4-trimethylpentane 46.11
    2-methyltetrahydrofuran 1557.88
    n-hexyl acetate 679.07
    isooctane 33.97
    2-(2-butoxyethoxy)ethanol 573.19
    sec-butyl acetate 410.37
    tert-butyl acetate 641.9
    decalin 84.36
    glycerin 454.58
    diglyme 970.25
    acrylic acid 927.69
    isopropyl myristate 217.36
    n-butyric acid 1492.37
    acetyl acetate 851.62
    di(2-ethylhexyl) phthalate 262.81
    ethyl propionate 489.37
    nitromethane 2004.84
    1,2-diethoxyethane 513.17
    benzonitrile 1106.37
    trioctyl phosphate 175.43
    1-bromopropane 1187.18
    gamma-valerolactone 2138.25
    n-decanol 148.97
    triethyl phosphate 219.1
    4-methyl-2-pentanol 307.93
    propionitrile 1022.19
    vinylene carbonate 1359.68
    1,1,2-trichlorotrifluoroethane 1620.77
    DMS 541.73
    cumene 217.26
    2-octanol 182.83
    2-hexanone 603.31
    octyl acetate 303.64
    limonene 263.52
    1,2-dimethoxyethane 1063.55
    ethyl orthosilicate 192.86
    tributyl phosphate 223.24
    diacetone alcohol 663.48
    N,N-dimethylaniline 394.74
    acrylonitrile 1243.37
    aniline 935.41
    1,3-propanediol 730.69
    bromobenzene 1713.49
    dibromomethane 3154.84
    1,1,2,2-tetrachloroethane 3752.17
    2-methyl-cyclohexyl acetate 381.31
    tetrabutyl urea 282.7
    diisobutyl methanol 165.65
    2-phenylethanol 559.21
    styrene 474.71
    dioctyl adipate 348.7
    dimethyl sulfate 629.56
    ethyl butyrate 408.89
    methyl lactate 419.96
    butyl lactate 357.93
    diethyl carbonate 322.95
    propanediol butyl ether 461.64
    triethyl orthoformate 267.82
    p-tert-butyltoluene 160.35
    methyl 4-tert-butylbenzoate 471.91
    morpholine 1762.89
    tert-butylamine 581.8
    n-dodecanol 110.14
    dimethoxymethane 895.37
    ethylene carbonate 1114.17
    cyrene 500.28
    2-ethoxyethyl acetate 567.57
    2-ethylhexyl acetate 450.02
    1,2,4-trichlorobenzene 1400.93
    4-methylpyridine 1952.3
    dibutyl ether 271.67
    2,6-dimethyl-4-heptanol 165.65
    DEF 982.28
    dimethyl isosorbide 731.76
    tetrachloroethylene 2183.1
    eugenol 489.94
    triacetin 552.7
    span 80 412.62
    1,4-butanediol 326.67
    1,1-dichloroethane 2560.44
    2-methyl-1-pentanol 607.7
    methyl formate 794.86
    2-methyl-1-butanol 828.97
    n-decane 30.56
    butyronitrile 1247.05
    3,7-dimethyl-1-octanol 263.51
    1-chlorooctane 192.76
    1-chlorotetradecane 75.06
    n-nonane 27.74
    undecane 22.92
    tert-butylcyclohexane 66.19
    cyclooctane 40.19
    cyclopentanol 1111.43
    tetrahydropyran 1641.84
    tert-amyl methyl ether 487.24
    2,5,8-trioxanonane 641.36
    1-hexene 299.76
    2-isopropoxyethanol 471.76
    2,2,2-trifluoroethanol 486.69
    methyl butyrate 712.15

    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