Butyl 2-furoate

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  • Identifiers

    CAS number
    583-33-5

    Molecular formula
    C9H12O3

    SMILES
    CCCCOC(=O)C1=CC=CO1

  • Odor profile

    Fragrance
    Fruity 85.89%
    Caramellic 66.13%
    Sweet 57.84%
    Floral 55.24%
    Herbal 44.67%
    Winey 43.81%
    Green 35.67%
    Balsamic 35.58%
    Apple 33.98%
    Berry 33.21%

     

    Flavor
    Fruity 73.91%
    Sweet 55.43%
    Caramel 36.28%
    Pineapple 35.75%
    Grape 33.7%
    Berry 31.69%
    Balsam 31.51%
    Mushroom 31.36%
    Creamy 30.81%
    Oily 28.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.71 (weak acid)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 88.57 ˚C est.

  • Synonyms

    • Butyl 2-furoate
    • Butyl furoate
    • 583-33-5
    • butyl furan-2-carboxylate
    • 2-Furancarboxylic acid, butyl ester
    • 2-Furoic acid, butyl ester
    • Butyl 2-furancarboxylate
    • 2-FUROIC ACID, n-BUTYL ESTER
    • NSC 5602
    • BRN 0117938
    • AI3-00646
    • UNII-1F9715415C
    • NSC-5602
    • BUTYL .ALPHA.-FUROATE
    • 1F9715415C
    • DTXSID30207025
    • 4-18-00-03918 (Beilstein Handbook Reference)
    • furan-2-carboxylic acid butyl ester
    • Butyl2-furoate
    • 2-Furancarboxylic acid, butyl ester (9CI)
    • BUTYL ALPHA-FUROATE
    • WLN: T5OJ BVO4
    • SCHEMBL2418046
    • DTXCID30129516
    • NSC5602
    • AKOS006229649
    • NS00022420
    • Q27252352
    • 611-643-7

  • Applications

    Butyl 2-furoate is primarily used as a fragrance ingredient, delivering fruity and floral notes in perfumery and related cosmetic formulations. It may be employed in household products such as air fresheners and cleaners as an odorant component, and can serve as an aroma or flavor ingredient in food processing where permitted by regulation. The ester can also function as an additive in coatings, inks, and polymer formulations to impart fragrance, and may be encountered as an intermediate in the synthesis of other furoate-based aroma compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2383.19
    methanol 3464.1
    isopropanol 1195.12
    water 0.66
    ethyl acetate 1698.17
    n-propanol 1616.8
    acetone 3023.42
    n-butanol 1336.89
    acetonitrile 1951.9
    DMF 5028.09
    toluene 588.05
    isobutanol 1061.99
    1,4-dioxane 1361.73
    methyl acetate 1784.19
    THF 1932.49
    2-butanone 2070.22
    n-pentanol 668.56
    sec-butanol 1251.49
    n-hexane 34.62
    ethylene glycol 395.94
    NMP 2865.73
    cyclohexane 124.27
    DMSO 3850.54
    n-butyl acetate 946.06
    n-octanol 279.94
    chloroform 2915.37
    n-propyl acetate 792.26
    acetic acid 2720.74
    dichloromethane 3863.61
    cyclohexanone 2470.77
    propylene glycol 563.23
    isopropyl acetate 768.27
    DMAc 2675.18
    2-ethoxyethanol 1034.21
    isopentanol 930.0
    n-heptane 21.92
    ethyl formate 1238.14
    1,2-dichloroethane 2862.43
    n-hexanol 551.15
    2-methoxyethanol 2541.41
    isobutyl acetate 400.34
    tetrachloromethane 193.45
    n-pentyl acetate 489.67
    transcutol 3259.81
    n-heptanol 225.11
    ethylbenzene 252.91
    MIBK 691.93
    2-propoxyethanol 963.24
    tert-butanol 1116.39
    MTBE 849.58
    2-butoxyethanol 515.14
    propionic acid 1468.14
    o-xylene 332.56
    formic acid 913.94
    diethyl ether 933.16
    m-xylene 322.62
    p-xylene 361.09
    chlorobenzene 1332.27
    dimethyl carbonate 620.58
    n-octane 14.47
    formamide 1823.58
    cyclopentanone 2350.04
    2-pentanone 1510.74
    anisole 702.24
    cyclopentyl methyl ether 889.16
    gamma-butyrolactone 2524.35
    1-methoxy-2-propanol 1553.18
    pyridine 2551.9
    3-pentanone 1020.0
    furfural 2518.26
    n-dodecane 16.7
    diethylene glycol 801.89
    diisopropyl ether 194.34
    tert-amyl alcohol 1094.54
    acetylacetone 1493.8
    n-hexadecane 19.69
    acetophenone 791.22
    methyl propionate 1475.36
    isopentyl acetate 770.67
    trichloroethylene 5428.33
    n-nonanol 232.27
    cyclohexanol 1135.64
    benzyl alcohol 734.11
    2-ethylhexanol 318.45
    isooctanol 193.5
    dipropyl ether 243.55
    1,2-dichlorobenzene 1043.59
    ethyl lactate 359.65
    propylene carbonate 1246.34
    n-methylformamide 2319.15
    2-pentanol 778.63
    n-pentane 42.3
    1-propoxy-2-propanol 633.84
    1-methoxy-2-propyl acetate 716.33
    2-(2-methoxypropoxy) propanol 497.21
    mesitylene 183.99
    ε-caprolactone 1811.35
    p-cymene 141.58
    epichlorohydrin 3180.5
    1,1,1-trichloroethane 1546.92
    2-aminoethanol 870.74
    morpholine-4-carbaldehyde 1947.54
    sulfolane 2509.0
    2,2,4-trimethylpentane 40.21
    2-methyltetrahydrofuran 1467.19
    n-hexyl acetate 681.5
    isooctane 28.49
    2-(2-butoxyethoxy)ethanol 776.04
    sec-butyl acetate 453.59
    tert-butyl acetate 736.01
    decalin 56.56
    glycerin 622.53
    diglyme 1434.28
    acrylic acid 1480.45
    isopropyl myristate 206.7
    n-butyric acid 1951.38
    acetyl acetate 866.4
    di(2-ethylhexyl) phthalate 208.15
    ethyl propionate 670.6
    nitromethane 4302.15
    1,2-diethoxyethane 792.91
    benzonitrile 1124.95
    trioctyl phosphate 146.7
    1-bromopropane 1088.77
    gamma-valerolactone 2614.37
    n-decanol 160.07
    triethyl phosphate 203.53
    4-methyl-2-pentanol 343.21
    propionitrile 1465.41
    vinylene carbonate 1368.91
    1,1,2-trichlorotrifluoroethane 1906.28
    DMS 637.07
    cumene 160.05
    2-octanol 179.02
    2-hexanone 746.65
    octyl acetate 282.5
    limonene 236.48
    1,2-dimethoxyethane 1486.03
    ethyl orthosilicate 180.73
    tributyl phosphate 206.64
    diacetone alcohol 892.54
    N,N-dimethylaniline 384.1
    acrylonitrile 2359.48
    aniline 1005.37
    1,3-propanediol 1303.52
    bromobenzene 1308.61
    dibromomethane 2161.16
    1,1,2,2-tetrachloroethane 3418.66
    2-methyl-cyclohexyl acetate 357.71
    tetrabutyl urea 295.35
    diisobutyl methanol 183.04
    2-phenylethanol 551.32
    styrene 409.5
    dioctyl adipate 310.51
    dimethyl sulfate 820.03
    ethyl butyrate 501.25
    methyl lactate 655.65
    butyl lactate 377.28
    diethyl carbonate 366.68
    propanediol butyl ether 597.91
    triethyl orthoformate 282.07
    p-tert-butyltoluene 127.89
    methyl 4-tert-butylbenzoate 425.3
    morpholine 2150.65
    tert-butylamine 586.16
    n-dodecanol 118.47
    dimethoxymethane 1576.13
    ethylene carbonate 1067.71
    cyrene 485.99
    2-ethoxyethyl acetate 682.18
    2-ethylhexyl acetate 522.84
    1,2,4-trichlorobenzene 1208.73
    4-methylpyridine 2266.67
    dibutyl ether 333.05
    2,6-dimethyl-4-heptanol 183.04
    DEF 2048.11
    dimethyl isosorbide 707.12
    tetrachloroethylene 1941.37
    eugenol 461.87
    triacetin 540.09
    span 80 418.43
    1,4-butanediol 389.88
    1,1-dichloroethane 2257.02
    2-methyl-1-pentanol 609.58
    methyl formate 1613.56
    2-methyl-1-butanol 1034.33
    n-decane 26.19
    butyronitrile 1402.99
    3,7-dimethyl-1-octanol 311.87
    1-chlorooctane 170.58
    1-chlorotetradecane 64.55
    n-nonane 23.93
    undecane 20.28
    tert-butylcyclohexane 44.71
    cyclooctane 29.86
    cyclopentanol 1035.27
    tetrahydropyran 1514.8
    tert-amyl methyl ether 601.76
    2,5,8-trioxanonane 871.71
    1-hexene 221.54
    2-isopropoxyethanol 604.59
    2,2,2-trifluoroethanol 652.39
    methyl butyrate 1075.21

    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