2-Isopentylfuran

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  • Identifiers

    CAS number
    15012-77-8

    Molecular formula
    C9H14O

    SMILES
    CC(C)CCC1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Green 63.58%
    Fruity 50.12%
    Burnt 40.96%
    Sweet 38.57%
    Spicy 38.04%
    Earthy 37.69%
    Vegetable 36.78%
    Fatty 35.54%
    Metallic 35.1%
    Roasted 34.95%

     

    Flavor
    Green 59.67%
    Earthy 37.59%
    Herbal 33.83%
    Spicy 33.77%
    Vegetable 33.27%
    Roasted 32.29%
    Metallic 30.0%
    Pepper 29.25%
    Burnt 28.84%
    Spice 27.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.24 (neutral)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    162°C

    Flash point

    • 46.35 ˚C est.

  • Synonyms

    • 2-isoamylfuran
    • 2-isopentylfuran
    • SCHEMBL6480789
    • SCHEMBL7766323
    • 15012-77-8
    • 15012-77-8

  • Applications

    2-Isopentylfuran (CAS 15012-77-8) is primarily used as an aroma-chemical intermediate in fragrance and flavor chemistry, serving as a building block for the synthesis of other fragrance ingredients or as a standalone odorant; it is also evaluated for use in cosmetics and personal care as a fragrance ingredient, and may appear in household and cleaning products as an odorant or scent component; in industrial manufacturing it can function as an organic synthesis intermediate for the development of furan-based aroma compounds; and in polymers, plastics, or coatings research it may be explored as a specialty monomer or additive within fragrance-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 935.38
    methanol 654.63
    isopropanol 812.16
    water 0.78
    ethyl acetate 429.06
    n-propanol 753.73
    acetone 478.81
    n-butanol 723.93
    acetonitrile 418.08
    DMF 568.6
    toluene 357.84
    isobutanol 587.7
    1,4-dioxane 926.95
    methyl acetate 413.72
    THF 984.52
    2-butanone 486.54
    n-pentanol 499.26
    sec-butanol 649.3
    n-hexane 147.13
    ethylene glycol 187.43
    NMP 302.15
    cyclohexane 213.94
    DMSO 541.66
    n-butyl acetate 515.71
    n-octanol 302.5
    chloroform 1592.65
    n-propyl acetate 244.38
    acetic acid 392.82
    dichloromethane 1136.35
    cyclohexanone 562.74
    propylene glycol 418.83
    isopropyl acetate 241.37
    DMAc 418.47
    2-ethoxyethanol 447.22
    isopentanol 564.48
    n-heptane 164.05
    ethyl formate 289.61
    1,2-dichloroethane 546.44
    n-hexanol 885.44
    2-methoxyethanol 689.76
    isobutyl acetate 190.07
    tetrachloromethane 245.93
    n-pentyl acetate 209.92
    transcutol 1226.18
    n-heptanol 295.47
    ethylbenzene 200.81
    MIBK 241.84
    2-propoxyethanol 831.56
    tert-butanol 812.14
    MTBE 493.86
    2-butoxyethanol 369.19
    propionic acid 406.8
    o-xylene 211.36
    formic acid 89.54
    diethyl ether 442.15
    m-xylene 221.53
    p-xylene 247.53
    chlorobenzene 367.24
    dimethyl carbonate 106.0
    n-octane 51.52
    formamide 118.59
    cyclopentanone 510.68
    2-pentanone 379.89
    anisole 330.0
    cyclopentyl methyl ether 425.47
    gamma-butyrolactone 466.26
    1-methoxy-2-propanol 610.86
    pyridine 685.59
    3-pentanone 247.14
    furfural 491.43
    n-dodecane 47.35
    diethylene glycol 505.32
    diisopropyl ether 140.52
    tert-amyl alcohol 596.37
    acetylacetone 318.42
    n-hexadecane 51.53
    acetophenone 260.83
    methyl propionate 289.24
    isopentyl acetate 431.17
    trichloroethylene 994.18
    n-nonanol 260.1
    cyclohexanol 556.82
    benzyl alcohol 305.72
    2-ethylhexanol 476.35
    isooctanol 218.57
    dipropyl ether 442.07
    1,2-dichlorobenzene 299.65
    ethyl lactate 151.01
    propylene carbonate 339.68
    n-methylformamide 262.78
    2-pentanol 477.75
    n-pentane 139.55
    1-propoxy-2-propanol 672.27
    1-methoxy-2-propyl acetate 403.43
    2-(2-methoxypropoxy) propanol 360.6
    mesitylene 134.67
    ε-caprolactone 467.2
    p-cymene 172.06
    epichlorohydrin 613.75
    1,1,1-trichloroethane 600.83
    2-aminoethanol 427.55
    morpholine-4-carbaldehyde 495.81
    sulfolane 435.75
    2,2,4-trimethylpentane 65.78
    2-methyltetrahydrofuran 733.16
    n-hexyl acetate 359.16
    isooctane 57.7
    2-(2-butoxyethoxy)ethanol 479.88
    sec-butyl acetate 186.98
    tert-butyl acetate 250.42
    decalin 88.34
    glycerin 341.18
    diglyme 742.48
    acrylic acid 293.59
    isopropyl myristate 158.26
    n-butyric acid 587.9
    acetyl acetate 217.77
    di(2-ethylhexyl) phthalate 166.22
    ethyl propionate 211.19
    nitromethane 383.71
    1,2-diethoxyethane 462.45
    benzonitrile 398.67
    trioctyl phosphate 117.58
    1-bromopropane 514.53
    gamma-valerolactone 631.23
    n-decanol 203.8
    triethyl phosphate 133.55
    4-methyl-2-pentanol 255.85
    propionitrile 444.55
    vinylene carbonate 325.63
    1,1,2-trichlorotrifluoroethane 454.45
    DMS 225.46
    cumene 145.41
    2-octanol 193.06
    2-hexanone 303.99
    octyl acetate 199.76
    limonene 259.65
    1,2-dimethoxyethane 648.97
    ethyl orthosilicate 139.14
    tributyl phosphate 139.94
    diacetone alcohol 316.88
    N,N-dimethylaniline 229.88
    acrylonitrile 439.56
    aniline 396.1
    1,3-propanediol 495.17
    bromobenzene 416.02
    dibromomethane 857.58
    1,1,2,2-tetrachloroethane 870.53
    2-methyl-cyclohexyl acetate 250.43
    tetrabutyl urea 184.76
    diisobutyl methanol 222.61
    2-phenylethanol 394.51
    styrene 251.25
    dioctyl adipate 212.55
    dimethyl sulfate 130.48
    ethyl butyrate 314.1
    methyl lactate 185.01
    butyl lactate 202.44
    diethyl carbonate 199.36
    propanediol butyl ether 397.94
    triethyl orthoformate 221.61
    p-tert-butyltoluene 173.21
    methyl 4-tert-butylbenzoate 249.56
    morpholine 1058.81
    tert-butylamine 597.83
    n-dodecanol 164.5
    dimethoxymethane 364.62
    ethylene carbonate 287.27
    cyrene 229.42
    2-ethoxyethyl acetate 288.68
    2-ethylhexyl acetate 342.0
    1,2,4-trichlorobenzene 344.33
    4-methylpyridine 636.37
    dibutyl ether 297.81
    2,6-dimethyl-4-heptanol 222.61
    DEF 313.58
    dimethyl isosorbide 423.82
    tetrachloroethylene 524.21
    eugenol 253.99
    triacetin 288.98
    span 80 374.93
    1,4-butanediol 242.68
    1,1-dichloroethane 691.5
    2-methyl-1-pentanol 401.47
    methyl formate 177.68
    2-methyl-1-butanol 521.85
    n-decane 69.42
    butyronitrile 584.59
    3,7-dimethyl-1-octanol 319.96
    1-chlorooctane 191.09
    1-chlorotetradecane 90.22
    n-nonane 70.19
    undecane 55.77
    tert-butylcyclohexane 87.53
    cyclooctane 74.38
    cyclopentanol 502.39
    tetrahydropyran 943.32
    tert-amyl methyl ether 319.48
    2,5,8-trioxanonane 507.75
    1-hexene 401.62
    2-isopropoxyethanol 345.57
    2,2,2-trifluoroethanol 93.29
    methyl butyrate 281.57

    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