2-Methylpropyl 2-furancarboxylate

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  • Identifiers

    CAS number
    20279-53-2

    Molecular formula
    C9H12O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 86.7%
    Sweet 64.04%
    Caramellic 56.28%
    Floral 43.47%
    Winey 38.26%
    Herbal 37.23%
    Berry 37.09%
    Balsamic 32.18%
    Green 30.51%
    Apple 29.51%

     

    Flavor
    Fruity 74.01%
    Sweet 63.46%
    Caramel 32.76%
    Berry 31.94%
    Grape 31.6%
    Musty 26.89%
    Tropical 26.76%
    Herbal 26.0%
    Tobacco 25.17%
    Creamy 23.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.43 (weak acid)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 80.73 ˚C est.

  • Synonyms

    • 20279-53-2
    • 2-methylpropyl furan-2-carboxylate
    • 2-Methylpropyl 2-furancarboxylate
    • DTXSID601300207
    • RefChem:476201
    • DTXCID401730331
    • 882-028-0
    • 2-Furancarboxylic acid, 2-methylpropyl ester
    • Iso-butyl 2-furoate
    • iso-butyl2-furoate
    • Isobutyl 2-furoate #
    • SCHEMBL11327740
    • HREPSLLONKRVKD-UHFFFAOYSA-N
    • AKOS006243088
    • furan-2-carboxylic acid isobutyl ester
    • DB-230554
    • G19472
    • EN300-25390319
    • 20279-53-2

  • Applications

    2-Methylpropyl 2-furancarboxylate (CAS 20279-53-2), commonly referred to as isobutyl furoate, is used as an aroma chemical in perfumery and fragrance formulations; it may also serve as a fragrance component in cosmetics and personal care products. In consumer household products such as air fresheners and cleaners, it contributes to scent profiles. In industrial manufacturing, it can be used as an intermediate in fragrance synthesis and related organic transformations. It may also be employed as a scent additive in coatings or inks. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1066.84
    methanol 1365.14
    isopropanol 701.22
    water 2.42
    ethyl acetate 468.42
    n-propanol 697.51
    acetone 951.0
    n-butanol 675.79
    acetonitrile 524.17
    DMF 1458.29
    toluene 192.58
    isobutanol 513.52
    1,4-dioxane 576.7
    methyl acetate 534.86
    THF 892.84
    2-butanone 633.52
    n-pentanol 384.79
    sec-butanol 597.18
    n-hexane 19.72
    ethylene glycol 286.72
    NMP 840.09
    cyclohexane 48.82
    DMSO 773.69
    n-butyl acetate 405.69
    n-octanol 189.76
    chloroform 1103.36
    n-propyl acetate 276.85
    acetic acid 1195.82
    dichloromethane 980.72
    cyclohexanone 762.8
    propylene glycol 369.06
    isopropyl acetate 285.35
    DMAc 947.52
    2-ethoxyethanol 524.29
    isopentanol 536.71
    n-heptane 16.13
    ethyl formate 468.73
    1,2-dichloroethane 675.35
    n-hexanol 373.7
    2-methoxyethanol 1101.7
    isobutyl acetate 189.93
    tetrachloromethane 86.49
    n-pentyl acetate 205.83
    transcutol 1206.23
    n-heptanol 179.27
    ethylbenzene 116.45
    MIBK 302.61
    2-propoxyethanol 571.37
    tert-butanol 696.66
    MTBE 460.83
    2-butoxyethanol 323.0
    propionic acid 556.59
    o-xylene 146.35
    formic acid 513.06
    diethyl ether 330.62
    m-xylene 139.08
    p-xylene 171.61
    chlorobenzene 371.01
    dimethyl carbonate 207.43
    n-octane 11.02
    formamide 658.2
    cyclopentanone 779.9
    2-pentanone 490.37
    anisole 292.03
    cyclopentyl methyl ether 337.05
    gamma-butyrolactone 763.67
    1-methoxy-2-propanol 718.85
    pyridine 670.92
    3-pentanone 301.58
    furfural 861.52
    n-dodecane 13.26
    diethylene glycol 512.91
    diisopropyl ether 93.77
    tert-amyl alcohol 628.67
    acetylacetone 476.99
    n-hexadecane 14.69
    acetophenone 325.42
    methyl propionate 409.48
    isopentyl acetate 379.58
    trichloroethylene 1443.48
    n-nonanol 154.79
    cyclohexanol 473.03
    benzyl alcohol 333.37
    2-ethylhexanol 213.13
    isooctanol 148.88
    dipropyl ether 131.72
    1,2-dichlorobenzene 336.06
    ethyl lactate 185.12
    propylene carbonate 520.65
    n-methylformamide 729.61
    2-pentanol 422.94
    n-pentane 24.28
    1-propoxy-2-propanol 387.92
    1-methoxy-2-propyl acetate 330.39
    2-(2-methoxypropoxy) propanol 309.7
    mesitylene 91.85
    ε-caprolactone 590.9
    p-cymene 90.93
    epichlorohydrin 979.51
    1,1,1-trichloroethane 508.84
    2-aminoethanol 507.02
    morpholine-4-carbaldehyde 739.07
    sulfolane 745.83
    2,2,4-trimethylpentane 29.59
    2-methyltetrahydrofuran 628.31
    n-hexyl acetate 326.76
    isooctane 20.29
    2-(2-butoxyethoxy)ethanol 440.74
    sec-butyl acetate 189.71
    tert-butyl acetate 318.25
    decalin 33.93
    glycerin 426.03
    diglyme 676.84
    acrylic acid 572.81
    isopropyl myristate 111.56
    n-butyric acid 791.96
    acetyl acetate 292.13
    di(2-ethylhexyl) phthalate 139.7
    ethyl propionate 226.89
    nitromethane 1251.7
    1,2-diethoxyethane 306.23
    benzonitrile 395.47
    trioctyl phosphate 96.82
    1-bromopropane 321.62
    gamma-valerolactone 940.13
    n-decanol 115.06
    triethyl phosphate 116.0
    4-methyl-2-pentanol 219.81
    propionitrile 451.19
    vinylene carbonate 516.39
    1,1,2-trichlorotrifluoroethane 745.1
    DMS 244.3
    cumene 95.46
    2-octanol 131.31
    2-hexanone 301.7
    octyl acetate 158.0
    limonene 140.84
    1,2-dimethoxyethane 711.07
    ethyl orthosilicate 110.67
    tributyl phosphate 113.61
    diacetone alcohol 450.16
    N,N-dimethylaniline 208.09
    acrylonitrile 639.87
    aniline 339.55
    1,3-propanediol 688.95
    bromobenzene 328.54
    dibromomethane 577.78
    1,1,2,2-tetrachloroethane 1089.86
    2-methyl-cyclohexyl acetate 209.37
    tetrabutyl urea 159.73
    diisobutyl methanol 128.91
    2-phenylethanol 313.54
    styrene 154.81
    dioctyl adipate 173.61
    dimethyl sulfate 265.54
    ethyl butyrate 219.55
    methyl lactate 285.42
    butyl lactate 203.21
    diethyl carbonate 159.53
    propanediol butyl ether 372.99
    triethyl orthoformate 150.92
    p-tert-butyltoluene 87.61
    methyl 4-tert-butylbenzoate 246.93
    morpholine 797.21
    tert-butylamine 384.64
    n-dodecanol 87.61
    dimethoxymethane 549.42
    ethylene carbonate 399.28
    cyrene 281.94
    2-ethoxyethyl acetate 272.6
    2-ethylhexyl acetate 264.69
    1,2,4-trichlorobenzene 410.08
    4-methylpyridine 703.91
    dibutyl ether 153.77
    2,6-dimethyl-4-heptanol 128.91
    DEF 554.33
    dimethyl isosorbide 393.85
    tetrachloroethylene 656.3
    eugenol 278.6
    triacetin 250.0
    span 80 272.0
    1,4-butanediol 266.15
    1,1-dichloroethane 688.98
    2-methyl-1-pentanol 370.93
    methyl formate 567.27
    2-methyl-1-butanol 502.64
    n-decane 19.15
    butyronitrile 536.75
    3,7-dimethyl-1-octanol 196.58
    1-chlorooctane 98.56
    1-chlorotetradecane 43.28
    n-nonane 16.83
    undecane 15.51
    tert-butylcyclohexane 32.17
    cyclooctane 14.25
    cyclopentanol 450.66
    tetrahydropyran 526.94
    tert-amyl methyl ether 331.69
    2,5,8-trioxanonane 469.27
    1-hexene 108.23
    2-isopropoxyethanol 331.94
    2,2,2-trifluoroethanol 336.81
    methyl butyrate 384.29

    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