3-Methylbutyl 2-furoate

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  • Identifiers

    CAS number
    615-12-3

    Molecular formula
    C10H14O3

    SMILES
    CC(C)CCOC(=O)C1=CC=CO1

  • Odor profile

    Fruity 67.4%
    Caramellic 49.55%
    Sweet 46.14%
    Herbal 42.61%
    Floral 35.27%
    Green 33.72%
    Winey 33.71%
    Balsamic 33.65%
    Apple 27.29%
    Chocolate 26.65%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point est.
    88.95 ˚C

  • Synonyms

    • 615-12-3
    • 3-Methylbutyl 2-furoate
    • Isopentyl furan-2-carboxylate
    • 2-Furancarboxylic Acid Isoamyl Ester
    • 3-methylbutyl furan-2-carboxylate
    • Isoamyl 2-Furoate
    • 2-Furancarboxylic acid, 3-methylbutyl ester
    • iso-Amyl 2-furoate
    • EINECS 210-409-8
    • AI3-14771
    • DTXSID20210467
    • furan-2-carboxylic acid isopentyl ester
    • Isoamyl 2-Furancarboxylate (contains 2-Methylbutyl 2-Furancarboxylate)
    • MFCD00059015
    • Isopentyl 2-furoate #
    • Isoamyl 2-Furancarboxylate
    • Isopentylfuran-2-carboxylate
    • 2-Furoic Acid Isoamyl Ester
    • SCHEMBL529031
    • Isopentyl 2-furoate, AldrichCPR
    • 3-methylbutyl uran-2-carboxylate
    • DTXCID20132958
    • CHEBI:179565
    • AKOS025295540
    • SB60997
    • CS-0361639
    • F0156
    • NS00034710
    • D90637
    • Q63392851
    • 210-409-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1590.14
    methanol 1769.6
    isopropanol 921.85
    water 0.4
    ethyl acetate 1278.88
    n-propanol 1190.88
    acetone 2107.28
    n-butanol 981.23
    acetonitrile 1221.07
    DMF 2866.8
    toluene 326.08
    isobutanol 851.95
    1,4-dioxane 910.19
    methyl acetate 1347.64
    THF 1785.08
    2-butanone 1816.59
    n-pentanol 506.79
    sec-butanol 1050.88
    n-hexane 29.01
    ethylene glycol 292.85
    NMP 2220.87
    cyclohexane 74.88
    DMSO 2458.35
    n-butyl acetate 741.78
    n-octanol 185.48
    chloroform 2209.28
    n-propyl acetate 582.79
    acetic acid 1791.47
    dichloromethane 2305.97
    cyclohexanone 1920.3
    propylene glycol 574.54
    isopropyl acetate 610.8
    DMAc 1916.28
    2-ethoxyethanol 749.78
    isopentanol 761.89
    n-heptane 15.35
    ethyl formate 738.4
    1,2-dichloroethane 1813.51
    n-hexanol 498.4
    2-methoxyethanol 1903.8
    isobutyl acetate 325.22
    tetrachloromethane 151.51
    n-pentyl acetate 318.28
    transcutol 2625.85
    n-heptanol 173.56
    ethylbenzene 170.42
    MIBK 589.32
    2-propoxyethanol 850.91
    tert-butanol 921.26
    MTBE 713.37
    2-butoxyethanol 389.22
    propionic acid 1159.57
    o-xylene 238.42
    formic acid 613.39
    diethyl ether 602.56
    m-xylene 222.91
    p-xylene 255.38
    chlorobenzene 835.88
    dimethyl carbonate 413.09
    n-octane 8.36
    formamide 1310.57
    cyclopentanone 2203.91
    2-pentanone 1253.23
    anisole 493.65
    cyclopentyl methyl ether 804.5
    gamma-butyrolactone 2227.17
    1-methoxy-2-propanol 1337.79
    pyridine 1465.92
    3-pentanone 864.0
    furfural 1784.58
    n-dodecane 8.8
    diethylene glycol 719.49
    diisopropyl ether 158.1
    tert-amyl alcohol 970.5
    acetylacetone 1167.2
    n-hexadecane 10.54
    acetophenone 602.53
    methyl propionate 1138.18
    isopentyl acetate 644.48
    trichloroethylene 3854.24
    n-nonanol 158.22
    cyclohexanol 861.04
    benzyl alcohol 520.65
    2-ethylhexanol 276.21
    isooctanol 157.07
    dipropyl ether 184.34
    1,2-dichlorobenzene 710.12
    ethyl lactate 315.12
    propylene carbonate 1115.53
    n-methylformamide 1574.74
    2-pentanol 617.58
    n-pentane 29.89
    1-propoxy-2-propanol 596.26
    1-methoxy-2-propyl acetate 701.57
    2-(2-methoxypropoxy) propanol 497.38
    mesitylene 137.68
    ε-caprolactone 1520.13
    p-cymene 117.16
    epichlorohydrin 2670.95
    1,1,1-trichloroethane 1289.71
    2-aminoethanol 716.82
    morpholine-4-carbaldehyde 1461.27
    sulfolane 2280.74
    2,2,4-trimethylpentane 33.03
    2-methyltetrahydrofuran 1461.2
    n-hexyl acetate 483.27
    isooctane 21.77
    2-(2-butoxyethoxy)ethanol 710.47
    sec-butyl acetate 389.08
    tert-butyl acetate 658.46
    decalin 40.46
    glycerin 579.72
    diglyme 1116.31
    acrylic acid 1099.82
    isopropyl myristate 155.24
    n-butyric acid 1475.38
    acetyl acetate 636.35
    di(2-ethylhexyl) phthalate 177.42
    ethyl propionate 524.03
    nitromethane 3012.18
    1,2-diethoxyethane 519.09
    benzonitrile 696.41
    trioctyl phosphate 117.68
    1-bromopropane 764.51
    gamma-valerolactone 2192.36
    n-decanol 113.65
    triethyl phosphate 179.29
    4-methyl-2-pentanol 293.21
    propionitrile 910.24
    vinylene carbonate 1066.82
    1,1,2-trichlorotrifluoroethane 1704.17
    DMS 500.82
    cumene 123.01
    2-octanol 133.87
    2-hexanone 598.57
    octyl acetate 217.65
    limonene 194.91
    1,2-dimethoxyethane 962.27
    ethyl orthosilicate 159.29
    tributyl phosphate 169.89
    diacetone alcohol 939.27
    N,N-dimethylaniline 290.07
    acrylonitrile 1447.52
    aniline 670.87
    1,3-propanediol 1002.58
    bromobenzene 795.7
    dibromomethane 1355.54
    1,1,2,2-tetrachloroethane 2888.55
    2-methyl-cyclohexyl acetate 323.08
    tetrabutyl urea 217.18
    diisobutyl methanol 149.93
    2-phenylethanol 446.24
    styrene 240.95
    dioctyl adipate 253.63
    dimethyl sulfate 673.18
    ethyl butyrate 383.95
    methyl lactate 576.59
    butyl lactate 323.1
    diethyl carbonate 276.42
    propanediol butyl ether 503.12
    triethyl orthoformate 233.18
    p-tert-butyltoluene 110.97
    methyl 4-tert-butylbenzoate 369.42
    morpholine 1548.89
    tert-butylamine 469.49
    n-dodecanol 83.06
    dimethoxymethane 978.64
    ethylene carbonate 792.93
    cyrene 463.41
    2-ethoxyethyl acetate 504.48
    2-ethylhexyl acetate 450.88
    1,2,4-trichlorobenzene 905.18
    4-methylpyridine 1456.03
    dibutyl ether 196.17
    2,6-dimethyl-4-heptanol 149.93
    DEF 1365.79
    dimethyl isosorbide 727.06
    tetrachloroethylene 1425.51
    eugenol 386.26
    triacetin 439.53
    span 80 393.2
    1,4-butanediol 295.04
    1,1-dichloroethane 1662.66
    2-methyl-1-pentanol 517.46
    methyl formate 997.7
    2-methyl-1-butanol 818.37
    n-decane 13.68
    butyronitrile 876.4
    3,7-dimethyl-1-octanol 247.44
    1-chlorooctane 107.53
    1-chlorotetradecane 41.72
    n-nonane 12.39
    undecane 10.73
    tert-butylcyclohexane 33.44
    cyclooctane 19.42
    cyclopentanol 927.64
    tetrahydropyran 1139.77
    tert-amyl methyl ether 535.73
    2,5,8-trioxanonane 756.85
    1-hexene 167.42
    2-isopropoxyethanol 485.78
    2,2,2-trifluoroethanol 501.34
    methyl butyrate 809.15

    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