Furfuryl 2-methylbutyrate

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  • Identifiers

    CAS number
    13678-61-0

    Molecular formula
    C10H14O3

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

  • Odor profile

    Fragrance
    Fruity 94.37%
    Tropical 48.25%
    Green 46.4%
    Caramellic 43.77%
    Berry 43.31%
    Pineapple 41.33%
    Sweet 38.29%
    Apple 37.36%
    Fatty 29.49%
    Strawberry 29.25%

     

    Flavor
    Fruity 91.03%
    Sweet 60.16%
    Green 54.34%
    Berry 45.62%
    Tropical 43.96%
    Apple 43.51%
    Pineapple 43.37%
    Grape 35.83%
    Oily 33.28%
    Waxy 31.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.35 (neutral)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    225°C

    Flash point

    • 95.24 ˚C est.

  • Synonyms

    • Furfuryl 2-methylbutyrate
    • 13678-61-0
    • furan-2-ylmethyl 2-methylbutanoate
    • PE45X9TD3R
    • Butanoic acid, 2-methyl-, 2-furanylmethyl ester
    • Furfuryl alcohol, 2-methylbutyrate
    • Furfuryl alpha-methylbutyrate
    • Butyric acid, 2-methyl-, furfuryl ester
    • UNII-PE45X9TD3R
    • FURFURYL .ALPHA.-METHYLBUTYRATE
    • (Furan-2-yl)methyl 2-methylbutanoate
    • SCHEMBL11339548
    • DTXSID70608739
    • FWHTZOMSKMABHQ-UHFFFAOYSA-N
    • NS00121471
    • Butanoic acid,2-methyl-,2-furanylmethyl ester

  • Applications

    Furfuryl 2-methylbutyrate (CAS 13678-61-0) is commonly used as a fragrance ingredient and fixative in perfumery, contributing woody and balsamic notes in formulations; it is also encountered in cosmetics/personal care formulations as a scent component; in household products and cleaners it may function as an aroma ingredient; it can be used as an intermediate or functional additive in industrial manufacturing, particularly in polymer/plastics and coatings/inks formulations; it may be evaluated as a processing aid in resin systems, all subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1312.4
    methanol 2537.87
    isopropanol 780.74
    water 3.7
    ethyl acetate 1916.93
    n-propanol 820.62
    acetone 1893.39
    n-butanol 773.94
    acetonitrile 1854.79
    DMF 1539.82
    toluene 707.7
    isobutanol 715.75
    1,4-dioxane 2010.41
    methyl acetate 1596.28
    THF 1533.07
    2-butanone 1407.82
    n-pentanol 587.61
    sec-butanol 771.33
    n-hexane 36.41
    ethylene glycol 213.64
    NMP 833.85
    cyclohexane 98.07
    DMSO 1394.44
    n-butyl acetate 744.26
    n-octanol 165.56
    chloroform 3173.16
    n-propyl acetate 877.59
    acetic acid 1865.2
    dichloromethane 3208.99
    cyclohexanone 1399.86
    propylene glycol 233.7
    isopropyl acetate 972.46
    DMAc 1729.52
    2-ethoxyethanol 1239.33
    isopentanol 897.04
    n-heptane 15.75
    ethyl formate 853.1
    1,2-dichloroethane 1984.01
    n-hexanol 383.15
    2-methoxyethanol 1713.12
    isobutyl acetate 513.34
    tetrachloromethane 300.03
    n-pentyl acetate 350.19
    transcutol 3334.1
    n-heptanol 166.8
    ethylbenzene 336.07
    MIBK 679.08
    2-propoxyethanol 761.54
    tert-butanol 1342.62
    MTBE 1432.52
    2-butoxyethanol 394.95
    propionic acid 879.54
    o-xylene 427.12
    formic acid 836.21
    diethyl ether 1395.65
    m-xylene 389.57
    p-xylene 502.84
    chlorobenzene 938.17
    dimethyl carbonate 452.87
    n-octane 9.87
    formamide 1618.42
    cyclopentanone 1194.57
    2-pentanone 1082.89
    anisole 882.56
    cyclopentyl methyl ether 775.7
    gamma-butyrolactone 1454.7
    1-methoxy-2-propanol 977.01
    pyridine 2000.26
    3-pentanone 853.52
    furfural 1460.83
    n-dodecane 11.85
    diethylene glycol 617.93
    diisopropyl ether 278.44
    tert-amyl alcohol 1161.35
    acetylacetone 1429.64
    n-hexadecane 14.0
    acetophenone 803.14
    methyl propionate 1049.01
    isopentyl acetate 748.01
    trichloroethylene 3900.57
    n-nonanol 153.35
    cyclohexanol 695.1
    benzyl alcohol 680.01
    2-ethylhexanol 242.64
    isooctanol 159.62
    dipropyl ether 223.7
    1,2-dichlorobenzene 774.81
    ethyl lactate 266.91
    propylene carbonate 826.79
    n-methylformamide 977.72
    2-pentanol 550.58
    n-pentane 36.28
    1-propoxy-2-propanol 451.48
    1-methoxy-2-propyl acetate 702.52
    2-(2-methoxypropoxy) propanol 485.19
    mesitylene 212.94
    ε-caprolactone 1234.64
    p-cymene 142.2
    epichlorohydrin 2052.57
    1,1,1-trichloroethane 1595.6
    2-aminoethanol 520.46
    morpholine-4-carbaldehyde 1427.83
    sulfolane 1081.34
    2,2,4-trimethylpentane 50.58
    2-methyltetrahydrofuran 1275.02
    n-hexyl acetate 469.62
    isooctane 31.43
    2-(2-butoxyethoxy)ethanol 679.8
    sec-butyl acetate 610.29
    tert-butyl acetate 876.5
    decalin 63.22
    glycerin 327.62
    diglyme 1357.76
    acrylic acid 784.28
    isopropyl myristate 160.86
    n-butyric acid 1314.35
    acetyl acetate 1052.61
    di(2-ethylhexyl) phthalate 176.74
    ethyl propionate 700.14
    nitromethane 3381.72
    1,2-diethoxyethane 936.63
    benzonitrile 832.6
    trioctyl phosphate 101.85
    1-bromopropane 842.18
    gamma-valerolactone 1656.28
    n-decanol 109.19
    triethyl phosphate 220.33
    4-methyl-2-pentanol 345.38
    propionitrile 1100.9
    vinylene carbonate 871.11
    1,1,2-trichlorotrifluoroethane 1166.06
    DMS 568.86
    cumene 215.27
    2-octanol 121.89
    2-hexanone 704.92
    octyl acetate 198.23
    limonene 191.62
    1,2-dimethoxyethane 1726.06
    ethyl orthosilicate 211.11
    tributyl phosphate 163.92
    diacetone alcohol 780.7
    N,N-dimethylaniline 494.55
    acrylonitrile 1407.28
    aniline 820.5
    1,3-propanediol 779.99
    bromobenzene 964.52
    dibromomethane 1838.26
    1,1,2,2-tetrachloroethane 2661.75
    2-methyl-cyclohexyl acetate 352.81
    tetrabutyl urea 187.47
    diisobutyl methanol 156.54
    2-phenylethanol 479.94
    styrene 504.4
    dioctyl adipate 254.04
    dimethyl sulfate 557.92
    ethyl butyrate 493.31
    methyl lactate 322.85
    butyl lactate 246.85
    diethyl carbonate 379.39
    propanediol butyl ether 362.53
    triethyl orthoformate 311.57
    p-tert-butyltoluene 130.41
    methyl 4-tert-butylbenzoate 399.21
    morpholine 2119.85
    tert-butylamine 768.5
    n-dodecanol 82.75
    dimethoxymethane 1151.76
    ethylene carbonate 747.95
    cyrene 434.56
    2-ethoxyethyl acetate 636.3
    2-ethylhexyl acetate 517.76
    1,2,4-trichlorobenzene 860.45
    4-methylpyridine 1809.69
    dibutyl ether 261.25
    2,6-dimethyl-4-heptanol 156.54
    DEF 1292.29
    dimethyl isosorbide 704.03
    tetrachloroethylene 1733.71
    eugenol 414.14
    triacetin 522.56
    span 80 344.33
    1,4-butanediol 304.13
    1,1-dichloroethane 1910.15
    2-methyl-1-pentanol 695.53
    methyl formate 765.32
    2-methyl-1-butanol 808.07
    n-decane 18.28
    butyronitrile 988.76
    3,7-dimethyl-1-octanol 232.78
    1-chlorooctane 111.17
    1-chlorotetradecane 47.12
    n-nonane 15.34
    undecane 14.23
    tert-butylcyclohexane 55.79
    cyclooctane 25.01
    cyclopentanol 492.8
    tetrahydropyran 1524.58
    tert-amyl methyl ether 843.74
    2,5,8-trioxanonane 882.42
    1-hexene 232.58
    2-isopropoxyethanol 786.32
    2,2,2-trifluoroethanol 577.27
    methyl butyrate 1016.37

    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