Furfuryl isovalerate

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  • Identifiers

    CAS number
    13678-60-9

    Molecular formula
    C10H14O3

    SMILES
    CC(C)CC(=O)OCC1=CC=CO1

  • Odor profile

    Fragrance
    Fruity 93.98%
    Sweet 48.77%
    Apple 47.21%
    Pineapple 47.1%
    Caramellic 44.69%
    Berry 42.69%
    Green 38.66%
    Tropical 36.43%
    Ripe 35.09%
    Winey 33.34%

     

    Flavor
    Fruity 92.15%
    Sweet 56.96%
    Pineapple 53.21%
    Berry 41.24%
    Apple 41.08%
    Grape 40.6%
    Tropical 37.95%
    Banana 35.61%
    Ripe 33.29%
    Green 32.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.75 (neutral)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 97.00 to 98.00 °C. @ 11.00 mm Hg

    Flash point

    • 95.14 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • Furfuryl isovalerate
    • furan-2-ylmethyl 3-methylbutanoate
    • 13678-60-9
    • Furfuryl 3-methylbutanoate
    • Isovaleric acid, furfuryl ester
    • 2-Furanylmethyl isovalerate
    • Butanoic acid, 3-methyl-, 2-furanylmethyl ester
    • FEMA No. 3283
    • 2-Furanylmethyl 3-methylbutanoate
    • 3-Methylbutyric acid, 2-furanylmethyl ester
    • UNII-V7HH8621P6
    • V7HH8621P6
    • EINECS 237-171-8
    • Butanoic acid, 3-methyl-, 2-furanmethyl ester
    • DTXSID4065579
    • FEMA 3283
    • FURFURYL ISOVALERATE [FHFI]
    • Furfuryl isovaleric acid
    • furfuryl 3-methyl butanoate
    • SCHEMBL1532474
    • DTXCID2034380
    • CHEBI:179566
    • uran-2-ylmethyl 3-methylbutanoate
    • 2-Furylmethyl 3-methylbutanoate #
    • LMFA07010890
    • Furfuryl 3-methylbutanoate, >=98%, FG
    • DB-220745
    • NS00021621
    • Butanoic acid,3-methyl-,2-furanylmethyl ester
    • Q27291635
    • 237-171-8

  • Applications

    Furfuryl 3-methylbutanoate (CAS 13678-60-9) is an ester with a warm caramel-honey, roasted almond and ripe fruit odour that finds use as a flavour ingredient in confectionery, beverages, instant coffee, syrups, dairy desserts and chewing gum; as a tobacco casing to deepen cut-leaf notes; as a perfumery and cosmetic additive that enriches sweet gourmand accords, masks solvent harshness and stabilises aldehydic bases; and as a green synthetic intermediate, feed palatability enhancer and reference molecule in olfactory research, all while meeting FEMA GRAS, IFRA and EU trace-level safety limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 653.92
    methanol 833.8
    isopropanol 450.83
    water 1.38
    ethyl acetate 343.46
    n-propanol 425.29
    acetone 840.36
    n-butanol 378.31
    acetonitrile 432.58
    DMF 1122.05
    toluene 132.2
    isobutanol 336.18
    1,4-dioxane 524.23
    methyl acetate 409.95
    THF 813.46
    2-butanone 543.24
    n-pentanol 258.22
    sec-butanol 398.59
    n-hexane 19.45
    ethylene glycol 174.49
    NMP 765.91
    cyclohexane 29.2
    DMSO 1147.25
    n-butyl acetate 276.64
    n-octanol 131.78
    chloroform 1375.39
    n-propyl acetate 229.81
    acetic acid 1102.66
    dichloromethane 1103.31
    cyclohexanone 607.34
    propylene glycol 310.71
    isopropyl acetate 219.12
    DMAc 961.63
    2-ethoxyethanol 392.4
    isopentanol 346.63
    n-heptane 9.15
    ethyl formate 246.17
    1,2-dichloroethane 700.75
    n-hexanol 246.87
    2-methoxyethanol 700.99
    isobutyl acetate 163.24
    tetrachloromethane 85.79
    n-pentyl acetate 138.51
    transcutol 1356.01
    n-heptanol 105.26
    ethylbenzene 106.59
    MIBK 246.43
    2-propoxyethanol 402.46
    tert-butanol 552.06
    MTBE 348.47
    2-butoxyethanol 210.16
    propionic acid 486.35
    o-xylene 121.11
    formic acid 359.85
    diethyl ether 237.09
    m-xylene 121.31
    p-xylene 160.52
    chlorobenzene 328.31
    dimethyl carbonate 165.82
    n-octane 5.92
    formamide 453.39
    cyclopentanone 733.72
    2-pentanone 368.89
    anisole 291.73
    cyclopentyl methyl ether 297.34
    gamma-butyrolactone 733.61
    1-methoxy-2-propanol 536.88
    pyridine 502.2
    3-pentanone 266.63
    furfural 688.3
    n-dodecane 7.71
    diethylene glycol 383.42
    diisopropyl ether 71.12
    tert-amyl alcohol 478.46
    acetylacetone 453.23
    n-hexadecane 8.81
    acetophenone 300.67
    methyl propionate 297.85
    isopentyl acetate 269.78
    trichloroethylene 1489.25
    n-nonanol 110.08
    cyclohexanol 323.36
    benzyl alcohol 268.57
    2-ethylhexanol 145.46
    isooctanol 91.29
    dipropyl ether 102.27
    1,2-dichlorobenzene 335.29
    ethyl lactate 159.83
    propylene carbonate 433.57
    n-methylformamide 434.89
    2-pentanol 259.04
    n-pentane 13.94
    1-propoxy-2-propanol 290.43
    1-methoxy-2-propyl acetate 296.21
    2-(2-methoxypropoxy) propanol 314.5
    mesitylene 75.14
    ε-caprolactone 483.21
    p-cymene 69.95
    epichlorohydrin 844.94
    1,1,1-trichloroethane 535.84
    2-aminoethanol 331.11
    morpholine-4-carbaldehyde 669.38
    sulfolane 920.26
    2,2,4-trimethylpentane 19.67
    2-methyltetrahydrofuran 525.04
    n-hexyl acetate 248.75
    isooctane 13.4
    2-(2-butoxyethoxy)ethanol 404.4
    sec-butyl acetate 164.51
    tert-butyl acetate 271.36
    decalin 23.67
    glycerin 375.11
    diglyme 609.18
    acrylic acid 500.0
    isopropyl myristate 95.51
    n-butyric acid 520.45
    acetyl acetate 260.07
    di(2-ethylhexyl) phthalate 117.29
    ethyl propionate 198.24
    nitromethane 1127.84
    1,2-diethoxyethane 255.0
    benzonitrile 318.63
    trioctyl phosphate 78.19
    1-bromopropane 299.88
    gamma-valerolactone 751.7
    n-decanol 81.99
    triethyl phosphate 108.41
    4-methyl-2-pentanol 154.29
    propionitrile 305.2
    vinylene carbonate 419.56
    1,1,2-trichlorotrifluoroethane 749.35
    DMS 257.41
    cumene 80.83
    2-octanol 82.24
    2-hexanone 271.62
    octyl acetate 127.05
    limonene 100.93
    1,2-dimethoxyethane 549.91
    ethyl orthosilicate 99.61
    tributyl phosphate 106.9
    diacetone alcohol 397.97
    N,N-dimethylaniline 195.09
    acrylonitrile 425.49
    aniline 269.0
    1,3-propanediol 415.15
    bromobenzene 318.55
    dibromomethane 665.31
    1,1,2,2-tetrachloroethane 1208.22
    2-methyl-cyclohexyl acetate 176.87
    tetrabutyl urea 134.88
    diisobutyl methanol 83.45
    2-phenylethanol 237.34
    styrene 140.5
    dioctyl adipate 162.05
    dimethyl sulfate 302.48
    ethyl butyrate 169.25
    methyl lactate 237.73
    butyl lactate 162.67
    diethyl carbonate 137.53
    propanediol butyl ether 306.6
    triethyl orthoformate 125.74
    p-tert-butyltoluene 65.0
    methyl 4-tert-butylbenzoate 227.71
    morpholine 665.84
    tert-butylamine 286.55
    n-dodecanol 63.14
    dimethoxymethane 372.8
    ethylene carbonate 314.91
    cyrene 283.87
    2-ethoxyethyl acetate 216.57
    2-ethylhexyl acetate 194.16
    1,2,4-trichlorobenzene 423.12
    4-methylpyridine 501.1
    dibutyl ether 121.77
    2,6-dimethyl-4-heptanol 83.45
    DEF 399.29
    dimethyl isosorbide 414.61
    tetrachloroethylene 624.17
    eugenol 247.45
    triacetin 288.71
    span 80 251.94
    1,4-butanediol 176.16
    1,1-dichloroethane 690.17
    2-methyl-1-pentanol 269.57
    methyl formate 340.13
    2-methyl-1-butanol 322.16
    n-decane 11.57
    butyronitrile 302.76
    3,7-dimethyl-1-octanol 148.43
    1-chlorooctane 75.9
    1-chlorotetradecane 30.78
    n-nonane 10.4
    undecane 9.1
    tert-butylcyclohexane 23.95
    cyclooctane 8.52
    cyclopentanol 339.44
    tetrahydropyran 452.22
    tert-amyl methyl ether 241.12
    2,5,8-trioxanonane 455.64
    1-hexene 107.12
    2-isopropoxyethanol 275.5
    2,2,2-trifluoroethanol 309.26
    methyl butyrate 284.09

    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