Isobutyl-2-furanpropionate

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  • Identifiers

    CAS number
    105-01-1

    Molecular formula
    C11H16O3

    SMILES
    CC(C)COC(=O)CCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.41%
    Sweet 67.35%
    Floral 60.64%
    Pineapple 50.08%
    Apple 49.52%
    Caramellic 48.89%
    Green 47.93%
    Tropical 43.0%
    Woody 42.49%
    Winey 42.46%

     

    Flavor
    Fruity 85.52%
    Sweet 78.44%
    Pineapple 54.71%
    Berry 43.05%
    Tropical 40.81%
    Apple 37.59%
    Banana 36.33%
    Grape 36.15%
    Green 31.47%
    Ripe 30.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.24 (neutral)

    Molecular weight
    196.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 105.00 °C. @ 3.00 mm Hg

    Flash point

    • 107.89 ˚C est.

    Solubility expt.

    • very slightly
    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 105-01-1
    • Isobutyl furfurylacetate
    • Isobutyl 2-furanpropionate
    • 2-methylpropyl 3-(furan-2-yl)propanoate
    • Isobutyl 3-(furan-2-yl)propanoate
    • Isobutyl furylpropionate
    • Isobutyl-2-furanpropionate
    • Isobutyl 3-(2-furyl)propanoate
    • Isobutyl furan-2-propionate
    • FEMA No. 2198
    • 2-Furanpropanoic acid, 2-methylpropyl ester
    • 2-Methylpropyl 2-furanpropanoate
    • 2-FURANPROPIONIC ACID, ISOBUTYL ESTER
    • Isobutyl 3-(2-furan)propionate
    • VTW5O0BY7T
    • EINECS 203-261-0
    • BRN 4991049
    • DTXSID4051532
    • ISOBUTYL-2-FURANPROPIONATE [FHFI]
    • UNII-VTW5O0BY7T
    • SCHEMBL872744
    • DTXCID5030084
    • FEMA 2198
    • CHEBI:169336
    • SVDPTFHRRNUNRS-UHFFFAOYSA-N
    • LMFA07010915
    • MFCD00047069
    • AKOS006241301
    • 2-methylpropyl 3-(uran-2-yl)propanoate
    • NS00012677
    • G65625
    • Q27292015
    • 203-261-0

  • Applications

    Isobutyl-2-furanpropionate is primarily used as a fragrance ingredient and odorant in perfumery and cosmetic formulations. It is commonly evaluated as a fragrance component and aroma chemical to furnish fruity notes, and may serve as a processing aid or solvent in fragrance blends. The ester is also used as an intermediate in the synthesis of other fragrance compounds and specialty chemicals in industrial manufacturing. In household products such as cleaners and air fresheners, it provides scent enhancement, and it can be incorporated into coatings and inks as a fragrance additive within formulation limits. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 975.03
    methanol 1685.12
    isopropanol 550.28
    water 2.86
    ethyl acetate 626.41
    n-propanol 484.29
    acetone 862.79
    n-butanol 444.48
    acetonitrile 764.88
    DMF 888.5
    toluene 201.79
    isobutanol 357.29
    1,4-dioxane 714.09
    methyl acetate 687.98
    THF 816.9
    2-butanone 633.2
    n-pentanol 374.87
    sec-butanol 402.59
    n-hexane 16.02
    ethylene glycol 173.29
    NMP 414.41
    cyclohexane 20.38
    DMSO 943.77
    n-butyl acetate 445.05
    n-octanol 160.13
    chloroform 1283.64
    n-propyl acetate 399.77
    acetic acid 791.65
    dichloromethane 1368.81
    cyclohexanone 513.11
    propylene glycol 217.68
    isopropyl acetate 358.14
    DMAc 1104.32
    2-ethoxyethanol 727.85
    isopentanol 440.23
    n-heptane 11.31
    ethyl formate 437.46
    1,2-dichloroethane 630.85
    n-hexanol 296.28
    2-methoxyethanol 884.82
    isobutyl acetate 280.82
    tetrachloromethane 93.12
    n-pentyl acetate 203.99
    transcutol 1413.46
    n-heptanol 129.85
    ethylbenzene 155.22
    MIBK 303.42
    2-propoxyethanol 581.15
    tert-butanol 654.91
    MTBE 544.12
    2-butoxyethanol 292.79
    propionic acid 381.64
    o-xylene 150.22
    formic acid 323.17
    diethyl ether 367.44
    m-xylene 143.75
    p-xylene 224.45
    chlorobenzene 295.89
    dimethyl carbonate 213.16
    n-octane 9.14
    formamide 449.09
    cyclopentanone 520.86
    2-pentanone 441.78
    anisole 398.75
    cyclopentyl methyl ether 279.45
    gamma-butyrolactone 603.5
    1-methoxy-2-propanol 577.26
    pyridine 585.26
    3-pentanone 294.39
    furfural 670.23
    n-dodecane 12.82
    diethylene glycol 476.65
    diisopropyl ether 104.88
    tert-amyl alcohol 503.5
    acetylacetone 593.6
    n-hexadecane 14.38
    acetophenone 389.38
    methyl propionate 376.39
    isopentyl acetate 415.82
    trichloroethylene 1213.19
    n-nonanol 135.58
    cyclohexanol 243.58
    benzyl alcohol 350.36
    2-ethylhexanol 169.72
    isooctanol 117.66
    dipropyl ether 147.28
    1,2-dichlorobenzene 284.12
    ethyl lactate 192.47
    propylene carbonate 443.91
    n-methylformamide 439.16
    2-pentanol 259.73
    n-pentane 12.02
    1-propoxy-2-propanol 362.1
    1-methoxy-2-propyl acetate 399.35
    2-(2-methoxypropoxy) propanol 346.05
    mesitylene 82.79
    ε-caprolactone 475.8
    p-cymene 85.44
    epichlorohydrin 841.08
    1,1,1-trichloroethane 530.52
    2-aminoethanol 332.69
    morpholine-4-carbaldehyde 725.44
    sulfolane 533.91
    2,2,4-trimethylpentane 18.51
    2-methyltetrahydrofuran 529.57
    n-hexyl acetate 307.74
    isooctane 12.81
    2-(2-butoxyethoxy)ethanol 434.76
    sec-butyl acetate 288.07
    tert-butyl acetate 361.2
    decalin 25.5
    glycerin 256.74
    diglyme 781.55
    acrylic acid 319.51
    isopropyl myristate 119.0
    n-butyric acid 583.22
    acetyl acetate 407.41
    di(2-ethylhexyl) phthalate 135.1
    ethyl propionate 314.85
    nitromethane 1020.8
    1,2-diethoxyethane 442.67
    benzonitrile 394.75
    trioctyl phosphate 86.09
    1-bromopropane 330.65
    gamma-valerolactone 714.46
    n-decanol 101.22
    triethyl phosphate 138.09
    4-methyl-2-pentanol 172.51
    propionitrile 450.2
    vinylene carbonate 427.96
    1,1,2-trichlorotrifluoroethane 575.89
    DMS 300.13
    cumene 109.51
    2-octanol 100.33
    2-hexanone 368.41
    octyl acetate 155.26
    limonene 116.16
    1,2-dimethoxyethane 946.3
    ethyl orthosilicate 134.15
    tributyl phosphate 120.18
    diacetone alcohol 394.35
    N,N-dimethylaniline 266.61
    acrylonitrile 533.84
    aniline 261.9
    1,3-propanediol 464.16
    bromobenzene 312.47
    dibromomethane 738.79
    1,1,2,2-tetrachloroethane 894.24
    2-methyl-cyclohexyl acetate 221.18
    tetrabutyl urea 149.14
    diisobutyl methanol 101.88
    2-phenylethanol 277.76
    styrene 206.06
    dioctyl adipate 188.37
    dimethyl sulfate 286.31
    ethyl butyrate 292.55
    methyl lactate 204.14
    butyl lactate 166.17
    diethyl carbonate 219.27
    propanediol butyl ether 287.32
    triethyl orthoformate 190.97
    p-tert-butyltoluene 80.53
    methyl 4-tert-butylbenzoate 251.5
    morpholine 758.67
    tert-butylamine 346.13
    n-dodecanol 78.68
    dimethoxymethane 521.98
    ethylene carbonate 353.65
    cyrene 273.62
    2-ethoxyethyl acetate 327.6
    2-ethylhexyl acetate 289.87
    1,2,4-trichlorobenzene 345.45
    4-methylpyridine 607.2
    dibutyl ether 182.39
    2,6-dimethyl-4-heptanol 101.88
    DEF 478.2
    dimethyl isosorbide 434.99
    tetrachloroethylene 531.68
    eugenol 265.76
    triacetin 326.64
    span 80 242.7
    1,4-butanediol 265.04
    1,1-dichloroethane 673.02
    2-methyl-1-pentanol 364.02
    methyl formate 359.05
    2-methyl-1-butanol 359.35
    n-decane 19.24
    butyronitrile 480.94
    3,7-dimethyl-1-octanol 175.23
    1-chlorooctane 96.26
    1-chlorotetradecane 42.48
    n-nonane 16.76
    undecane 15.14
    tert-butylcyclohexane 27.94
    cyclooctane 7.75
    cyclopentanol 242.33
    tetrahydropyran 471.0
    tert-amyl methyl ether 339.64
    2,5,8-trioxanonane 566.31
    1-hexene 117.77
    2-isopropoxyethanol 496.8
    2,2,2-trifluoroethanol 245.73
    methyl butyrate 457.79

    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