3-Methyl-2-(2-methylpropyl)furan

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    87773-66-8

    Molecular formula
    C9H14O

    SMILES
    CC1=C(OC=C1)CC(C)C

    Retention indicies (RI)

    • Carbowax: 1692.0

  • Odor profile

    Fragrance
    Green 62.29%
    Burnt 44.3%
    Sweet 43.2%
    Earthy 42.95%
    Nutty 41.45%
    Herbal 39.44%
    Roasted 38.13%
    Vegetable 37.63%
    Musty 37.26%
    Ethereal 36.96%

     

    Flavor
    Green 57.0%
    Earthy 42.44%
    Roasted 38.55%
    Burnt 37.51%
    Herbal 33.23%
    Pepper 30.8%
    Vegetable 29.49%
    Spice 28.72%
    Metallic 28.2%
    Musty 27.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.41 (neutral)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point

    • 46.25 ˚C est.

  • Synonyms

    • 87773-66-8
    • 3-Methyl-2-(2-methylpropyl)furan
    • SCHEMBL21858121
    • DTXSID90522640

  • Applications

    3-Methyl-2-(2-methylpropyl)furan, CAS 87773-66-8, is primarily used as an odorant in perfumery and cosmetics, serving as a fragrance component that can contribute fruity and warm notes at low concentrations. It is also evaluated as a fragrance ingredient in flavor applications at trace levels and may appear in household and personal care products such as air fresheners, surface cleaners, and moisturizers due to its aroma profile. Additionally, it functions as an industrial manufacturing intermediate in fragrance chemistry and as a chemical precursor for more complex synthetic materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 952.51
    methanol 687.3
    isopropanol 1289.49
    water 2.07
    ethyl acetate 1168.33
    n-propanol 1064.42
    acetone 1737.74
    n-butanol 1150.16
    acetonitrile 1164.29
    DMF 1608.45
    toluene 775.0
    isobutanol 1146.87
    1,4-dioxane 1819.57
    methyl acetate 1259.59
    THF 2670.55
    2-butanone 1566.5
    n-pentanol 830.73
    sec-butanol 1294.03
    n-hexane 726.87
    ethylene glycol 222.62
    NMP 1360.43
    cyclohexane 611.76
    DMSO 1090.13
    n-butyl acetate 1189.68
    n-octanol 927.37
    chloroform 4269.6
    n-propyl acetate 818.69
    acetic acid 740.24
    dichloromethane 3006.55
    cyclohexanone 1971.2
    propylene glycol 512.56
    isopropyl acetate 832.51
    DMAc 1253.72
    2-ethoxyethanol 755.31
    isopentanol 1178.68
    n-heptane 381.13
    ethyl formate 727.58
    1,2-dichloroethane 1703.25
    n-hexanol 1439.37
    2-methoxyethanol 1019.82
    isobutyl acetate 704.57
    tetrachloromethane 838.03
    n-pentyl acetate 772.92
    transcutol 1860.95
    n-heptanol 705.14
    ethylbenzene 620.65
    MIBK 901.72
    2-propoxyethanol 1280.09
    tert-butanol 1695.14
    MTBE 1876.04
    2-butoxyethanol 777.16
    propionic acid 860.48
    o-xylene 594.49
    formic acid 140.96
    diethyl ether 1240.24
    m-xylene 650.86
    p-xylene 851.29
    chlorobenzene 1114.38
    dimethyl carbonate 407.39
    n-octane 201.08
    formamide 199.16
    cyclopentanone 2049.46
    2-pentanone 1224.76
    anisole 967.78
    cyclopentyl methyl ether 1367.49
    gamma-butyrolactone 1820.43
    1-methoxy-2-propanol 1062.63
    pyridine 1365.25
    3-pentanone 962.22
    furfural 1426.61
    n-dodecane 182.68
    diethylene glycol 720.4
    diisopropyl ether 620.77
    tert-amyl alcohol 1493.25
    acetylacetone 1168.35
    n-hexadecane 203.29
    acetophenone 786.65
    methyl propionate 900.61
    isopentyl acetate 1194.19
    trichloroethylene 3202.5
    n-nonanol 752.74
    cyclohexanol 1258.02
    benzyl alcohol 660.04
    2-ethylhexanol 922.28
    isooctanol 620.75
    dipropyl ether 929.16
    1,2-dichlorobenzene 1010.2
    ethyl lactate 436.31
    propylene carbonate 1217.36
    n-methylformamide 607.58
    2-pentanol 1047.43
    n-pentane 449.16
    1-propoxy-2-propanol 1121.45
    1-methoxy-2-propyl acetate 964.07
    2-(2-methoxypropoxy) propanol 797.65
    mesitylene 494.62
    ε-caprolactone 1502.38
    p-cymene 438.05
    epichlorohydrin 2049.09
    1,1,1-trichloroethane 2425.96
    2-aminoethanol 453.52
    morpholine-4-carbaldehyde 1334.02
    sulfolane 1930.87
    2,2,4-trimethylpentane 300.45
    2-methyltetrahydrofuran 2120.63
    n-hexyl acetate 1397.16
    isooctane 253.85
    2-(2-butoxyethoxy)ethanol 983.01
    sec-butyl acetate 661.51
    tert-butyl acetate 1015.1
    decalin 351.85
    glycerin 469.73
    diglyme 1475.39
    acrylic acid 681.71
    isopropyl myristate 569.99
    n-butyric acid 1229.77
    acetyl acetate 678.32
    di(2-ethylhexyl) phthalate 422.78
    ethyl propionate 733.91
    nitromethane 1147.09
    1,2-diethoxyethane 954.69
    benzonitrile 970.65
    trioctyl phosphate 364.26
    1-bromopropane 1595.6
    gamma-valerolactone 1954.27
    n-decanol 582.19
    triethyl phosphate 359.9
    4-methyl-2-pentanol 686.4
    propionitrile 1121.8
    vinylene carbonate 995.95
    1,1,2-trichlorotrifluoroethane 1250.21
    DMS 796.2
    cumene 495.73
    2-octanol 674.56
    2-hexanone 1061.74
    octyl acetate 697.99
    limonene 653.83
    1,2-dimethoxyethane 1450.39
    ethyl orthosilicate 365.95
    tributyl phosphate 427.5
    diacetone alcohol 999.44
    N,N-dimethylaniline 717.38
    acrylonitrile 1149.17
    aniline 798.4
    1,3-propanediol 636.14
    bromobenzene 1297.59
    dibromomethane 2234.86
    1,1,2,2-tetrachloroethane 2873.97
    2-methyl-cyclohexyl acetate 705.88
    tetrabutyl urea 518.28
    diisobutyl methanol 527.97
    2-phenylethanol 807.03
    styrene 696.07
    dioctyl adipate 653.52
    dimethyl sulfate 628.14
    ethyl butyrate 734.21
    methyl lactate 509.13
    butyl lactate 603.41
    diethyl carbonate 500.34
    propanediol butyl ether 885.92
    triethyl orthoformate 514.0
    p-tert-butyltoluene 435.38
    methyl 4-tert-butylbenzoate 804.85
    morpholine 1744.18
    tert-butylamine 1310.5
    n-dodecanol 469.26
    dimethoxymethane 911.87
    ethylene carbonate 845.24
    cyrene 655.71
    2-ethoxyethyl acetate 749.2
    2-ethylhexyl acetate 896.55
    1,2,4-trichlorobenzene 1205.29
    4-methylpyridine 1510.92
    dibutyl ether 955.65
    2,6-dimethyl-4-heptanol 527.97
    DEF 1082.29
    dimethyl isosorbide 1073.19
    tetrachloroethylene 1630.2
    eugenol 722.73
    triacetin 872.13
    span 80 807.12
    1,4-butanediol 356.21
    1,1-dichloroethane 2458.47
    2-methyl-1-pentanol 895.15
    methyl formate 558.42
    2-methyl-1-butanol 1140.91
    n-decane 275.0
    butyronitrile 1280.59
    3,7-dimethyl-1-octanol 841.92
    1-chlorooctane 799.2
    1-chlorotetradecane 347.53
    n-nonane 301.13
    undecane 217.51
    tert-butylcyclohexane 392.82
    cyclooctane 263.31
    cyclopentanol 1280.72
    tetrahydropyran 1949.24
    tert-amyl methyl ether 1205.78
    2,5,8-trioxanonane 1039.62
    1-hexene 1368.09
    2-isopropoxyethanol 700.52
    2,2,2-trifluoroethanol 284.13
    methyl butyrate 981.85

    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

Botanical

Name CAS Botanical Proportion
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.1%