2-tert-Butyl-5-methyl-2-propyl-5H-furan

Overview IFRA Request a quote

  • Identifiers

    CAS number
    871465-49-5

    Molecular formula
    C12H22O

    SMILES
    CCCC1(C=CC(O1)C)C(C)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 87.0%
    Green 72.67%
    Tropical 47.36%
    Black currant 46.21%
    Herbal 41.4%
    Mint 36.96%
    Woody 36.64%
    Berry 35.17%
    Spicy 33.72%
    Earthy 30.14%

     

    Flavor
    Green 78.08%
    Herbal 46.56%
    Earthy 36.9%
    Minty 32.35%
    Woody 31.53%
    Floral 30.01%
    Spice 27.91%
    Tropical 27.78%
    Herb 26.5%
    Pepper 26.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.83 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    195°C

    Flash point

    • 71.09 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Cassyrane
    • 2-tert-butyl-5-methyl-2-propyl-2,5-dihydrofuran
    • 871465-49-5
    • Fema No. 4731
    • UNII-K0M5IA152B
    • K0M5IA152B
    • DTXSID401019288
    • (+/-)-cis- and (+/-)-trans-2-(1,1-Dimethylethyl)2,5dihydro5methyl-2-propylfuran
    • SCHEMBL622666
    • BWJMAXUUBRFWGV-UHFFFAOYSA-N
    • DTXCID801034999
    • 2atertaButyla5amethyla2apropyla5Hafuran
    • 2-tert-Butyl-5-methyl-2-propyl-5H-furan
    • 5-tert-butyl-2-methyl-5-propyl-2H-furan

  • Applications

    For 2-tert-Butyl-5-methyl-2-propyl-5H-furan (CAS 871465-49-5), the compound is primarily viewed as a building block and intermediate in fragrance and flavor chemistry; it may also be evaluated for cosmetics and personal care as a fragrance component. It can serve as a fragrance note in household cleaning products. In industrial manufacturing, it is used as an intermediate in organic synthesis for R&D workflows, and in the polymers/plastics field it can function as a building block for specialty polymers or as an additive to tailor material properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 578.2
    methanol 483.53
    isopropanol 756.68
    water 2.16
    ethyl acetate 1148.05
    n-propanol 856.98
    acetone 1056.37
    n-butanol 951.39
    acetonitrile 778.5
    DMF 1351.41
    toluene 1803.53
    isobutanol 950.68
    1,4-dioxane 1770.78
    methyl acetate 1033.63
    THF 2634.29
    2-butanone 1294.61
    n-pentanol 815.27
    sec-butanol 1062.17
    n-hexane 1140.38
    ethylene glycol 154.36
    NMP 1796.2
    cyclohexane 1508.9
    DMSO 740.48
    n-butyl acetate 1503.33
    n-octanol 1338.68
    chloroform 4249.51
    n-propyl acetate 934.35
    acetic acid 416.02
    dichloromethane 3073.75
    cyclohexanone 2480.65
    propylene glycol 285.94
    isopropyl acetate 995.65
    DMAc 1508.5
    2-ethoxyethanol 667.84
    isopentanol 1051.67
    n-heptane 1220.57
    ethyl formate 682.09
    1,2-dichloroethane 1761.23
    n-hexanol 1558.74
    2-methoxyethanol 831.64
    isobutyl acetate 857.96
    tetrachloromethane 1357.88
    n-pentyl acetate 1249.66
    transcutol 1374.9
    n-heptanol 1032.92
    ethylbenzene 1314.37
    MIBK 1053.05
    2-propoxyethanol 1296.47
    tert-butanol 1142.32
    MTBE 1675.77
    2-butoxyethanol 906.17
    propionic acid 648.34
    o-xylene 1455.84
    formic acid 102.68
    diethyl ether 1405.73
    m-xylene 1533.09
    p-xylene 1661.7
    chlorobenzene 1740.11
    dimethyl carbonate 506.08
    n-octane 533.31
    formamide 151.54
    cyclopentanone 2181.53
    2-pentanone 1255.71
    anisole 1362.74
    cyclopentyl methyl ether 2079.46
    gamma-butyrolactone 1955.35
    1-methoxy-2-propanol 877.94
    pyridine 1510.45
    3-pentanone 1203.64
    furfural 1555.89
    n-dodecane 410.53
    diethylene glycol 582.54
    diisopropyl ether 924.34
    tert-amyl alcohol 1303.63
    acetylacetone 1194.8
    n-hexadecane 463.68
    acetophenone 1186.26
    methyl propionate 1019.39
    isopentyl acetate 1555.74
    trichloroethylene 3080.19
    n-nonanol 1087.01
    cyclohexanol 1571.73
    benzyl alcohol 822.94
    2-ethylhexanol 1394.71
    isooctanol 907.41
    dipropyl ether 1589.92
    1,2-dichlorobenzene 1760.33
    ethyl lactate 531.74
    propylene carbonate 1458.2
    n-methylformamide 524.09
    2-pentanol 980.16
    n-pentane 925.27
    1-propoxy-2-propanol 1217.78
    1-methoxy-2-propyl acetate 1209.5
    2-(2-methoxypropoxy) propanol 916.85
    mesitylene 1222.19
    ε-caprolactone 2018.45
    p-cymene 1166.52
    epichlorohydrin 1983.04
    1,1,1-trichloroethane 2677.18
    2-aminoethanol 312.05
    morpholine-4-carbaldehyde 1638.15
    sulfolane 2176.02
    2,2,4-trimethylpentane 609.24
    2-methyltetrahydrofuran 2397.87
    n-hexyl acetate 1906.1
    isooctane 486.8
    2-(2-butoxyethoxy)ethanol 948.99
    sec-butyl acetate 834.47
    tert-butyl acetate 1158.05
    decalin 931.87
    glycerin 328.61
    diglyme 1627.0
    acrylic acid 511.49
    isopropyl myristate 975.42
    n-butyric acid 925.31
    acetyl acetate 786.79
    di(2-ethylhexyl) phthalate 686.36
    ethyl propionate 1033.11
    nitromethane 757.09
    1,2-diethoxyethane 1090.59
    benzonitrile 1348.01
    trioctyl phosphate 635.51
    1-bromopropane 1836.59
    gamma-valerolactone 2226.47
    n-decanol 809.2
    triethyl phosphate 669.48
    4-methyl-2-pentanol 749.92
    propionitrile 1015.02
    vinylene carbonate 1300.64
    1,1,2-trichlorotrifluoroethane 1220.57
    DMS 1082.01
    cumene 1059.2
    2-octanol 1042.71
    2-hexanone 1124.04
    octyl acetate 1142.2
    limonene 1611.23
    1,2-dimethoxyethane 1438.75
    ethyl orthosilicate 671.7
    tributyl phosphate 654.58
    diacetone alcohol 970.47
    N,N-dimethylaniline 1152.12
    acrylonitrile 935.49
    aniline 1075.58
    1,3-propanediol 448.74
    bromobenzene 2285.94
    dibromomethane 2603.36
    1,1,2,2-tetrachloroethane 2977.35
    2-methyl-cyclohexyl acetate 1281.98
    tetrabutyl urea 848.09
    diisobutyl methanol 836.3
    2-phenylethanol 1155.39
    styrene 1279.83
    dioctyl adipate 1018.57
    dimethyl sulfate 750.97
    ethyl butyrate 1264.55
    methyl lactate 502.36
    butyl lactate 804.86
    diethyl carbonate 860.78
    propanediol butyl ether 817.62
    triethyl orthoformate 986.38
    p-tert-butyltoluene 1165.68
    methyl 4-tert-butylbenzoate 1299.99
    morpholine 1717.47
    tert-butylamine 1155.04
    n-dodecanol 670.44
    dimethoxymethane 1065.84
    ethylene carbonate 1129.45
    cyrene 818.79
    2-ethoxyethyl acetate 1041.02
    2-ethylhexyl acetate 1467.81
    1,2,4-trichlorobenzene 1964.95
    4-methylpyridine 1951.31
    dibutyl ether 1485.81
    2,6-dimethyl-4-heptanol 836.3
    DEF 1359.32
    dimethyl isosorbide 1502.8
    tetrachloroethylene 1952.23
    eugenol 909.5
    triacetin 1168.4
    span 80 981.32
    1,4-butanediol 285.68
    1,1-dichloroethane 2226.2
    2-methyl-1-pentanol 909.17
    methyl formate 469.94
    2-methyl-1-butanol 1133.54
    n-decane 635.42
    butyronitrile 1197.54
    3,7-dimethyl-1-octanol 1203.68
    1-chlorooctane 1406.95
    1-chlorotetradecane 663.03
    n-nonane 709.5
    undecane 492.08
    tert-butylcyclohexane 872.4
    cyclooctane 927.35
    cyclopentanol 1422.04
    tetrahydropyran 2309.0
    tert-amyl methyl ether 1546.57
    2,5,8-trioxanonane 1137.68
    1-hexene 1502.37
    2-isopropoxyethanol 653.57
    2,2,2-trifluoroethanol 238.48
    methyl butyrate 1253.24

    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