2(3H)-Furanone, 5-butyldihydro-5-methyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3285-00-5

    Molecular formula
    C9H16O2

    SMILES
    CCCCC1(CCC(=O)O1)C

    Safety labels

  • Odor profile

    Fragrance
    Coconut 69.73%
    Creamy 64.88%
    Lactonic 63.67%
    Sweet 60.32%
    Fatty 57.14%
    Floral 56.5%
    Coumarinic 48.79%
    Dairy 47.33%
    Milky 46.38%
    Fruity 46.13%

     

    Flavor
    Sweet 61.65%
    Fruity 56.73%
    Coconut 53.37%
    Herbal 44.09%
    Peach 40.13%
    Fruit 37.13%
    Creamy 36.8%
    Tonka 34.32%
    Fatty 33.69%
    Coumarin 31.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.84 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 87.3 ˚C est.

  • Synonyms

    • 2(3H)-Furanone, 5-butyldihydro-5-methyl-
    • RefChem:439874
    • 4-Methyloctan-4-olide
    • 3285-00-5
    • 5-butyl-5-methyloxolan-2-one
    • 5-butyl-5-methyldihydrofuran-2(3H)-one
    • 5-Butyldihydro-5-methyl-2(3H)-furanone
    • EINECS 221-934-7
    • NSC141827
    • 5-butyl-5-methyl-tetrahydrofuran-2-one
    • 4-Methyl-4-octanolide
    • N3TAF7HFR2
    • DTXSID30863145
    • MFCD00459847
    • NSC 141827
    • NSC-141827
    • 2(3H)-Furanone,5-butyldihydro-5-methyl-
    • DB-280634
    • NS00048980
    • F87953
    • 3285-00-5

  • Applications

    Chemical name: 2(3H)-Furanone, 5-butyldihydro-5-methyl-, CAS 3285-00-5 is primarily used as a fragrance ingredient and as a flavor/aroma compound in foods and beverages; it is commonly employed in perfumery, cosmetics/personal care, and in coatings, inks, and household products to impart or modify scent; it can serve as an intermediate in organic synthesis for specialty chemicals; and it may function as a processing aid or solvent in certain industrial formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1881.81
    methanol 2469.21
    isopropanol 1742.34
    water 3.9
    ethyl acetate 1169.45
    n-propanol 1538.45
    acetone 2007.25
    n-butanol 1291.83
    acetonitrile 1433.33
    DMF 2027.45
    toluene 711.82
    isobutanol 1240.71
    1,4-dioxane 1910.98
    methyl acetate 1208.65
    THF 2370.64
    2-butanone 1569.91
    n-pentanol 894.8
    sec-butanol 1418.67
    n-hexane 190.31
    ethylene glycol 489.3
    NMP 1778.71
    cyclohexane 222.63
    DMSO 2197.16
    n-butyl acetate 841.23
    n-octanol 568.14
    chloroform 4043.99
    n-propyl acetate 664.84
    acetic acid 1265.55
    dichloromethane 3008.9
    cyclohexanone 1950.69
    propylene glycol 839.91
    isopropyl acetate 825.72
    DMAc 1534.8
    2-ethoxyethanol 928.85
    isopentanol 1226.74
    n-heptane 65.5
    ethyl formate 785.18
    1,2-dichloroethane 1559.41
    n-hexanol 1044.22
    2-methoxyethanol 1590.49
    isobutyl acetate 493.89
    tetrachloromethane 536.03
    n-pentyl acetate 558.89
    transcutol 3060.84
    n-heptanol 431.59
    ethylbenzene 443.68
    MIBK 737.01
    2-propoxyethanol 1317.77
    tert-butanol 1749.8
    MTBE 1374.58
    2-butoxyethanol 659.5
    propionic acid 1254.11
    o-xylene 460.68
    formic acid 483.23
    diethyl ether 1079.18
    m-xylene 501.31
    p-xylene 561.42
    chlorobenzene 1175.06
    dimethyl carbonate 449.7
    n-octane 35.43
    formamide 615.67
    cyclopentanone 1944.2
    2-pentanone 1182.5
    anisole 895.67
    cyclopentyl methyl ether 1129.41
    gamma-butyrolactone 2084.44
    1-methoxy-2-propanol 1399.41
    pyridine 1621.18
    3-pentanone 823.98
    furfural 1767.15
    n-dodecane 34.7
    diethylene glycol 906.7
    diisopropyl ether 357.92
    tert-amyl alcohol 1390.02
    acetylacetone 1262.07
    n-hexadecane 40.6
    acetophenone 761.46
    methyl propionate 869.25
    isopentyl acetate 783.46
    trichloroethylene 2904.05
    n-nonanol 441.83
    cyclohexanol 1131.39
    benzyl alcohol 730.26
    2-ethylhexanol 523.52
    isooctanol 358.66
    dipropyl ether 420.99
    1,2-dichlorobenzene 985.71
    ethyl lactate 378.41
    propylene carbonate 1214.63
    n-methylformamide 1122.83
    2-pentanol 905.68
    n-pentane 138.83
    1-propoxy-2-propanol 883.38
    1-methoxy-2-propyl acetate 783.52
    2-(2-methoxypropoxy) propanol 730.3
    mesitylene 319.62
    ε-caprolactone 1588.74
    p-cymene 229.56
    epichlorohydrin 1971.76
    1,1,1-trichloroethane 1781.18
    2-aminoethanol 959.71
    morpholine-4-carbaldehyde 1656.09
    sulfolane 2347.39
    2,2,4-trimethylpentane 92.26
    2-methyltetrahydrofuran 1894.3
    n-hexyl acetate 1051.03
    isooctane 74.44
    2-(2-butoxyethoxy)ethanol 1048.06
    sec-butyl acetate 535.22
    tert-butyl acetate 847.04
    decalin 128.51
    glycerin 885.88
    diglyme 1512.07
    acrylic acid 1044.12
    isopropyl myristate 312.02
    n-butyric acid 1461.8
    acetyl acetate 755.46
    di(2-ethylhexyl) phthalate 334.04
    ethyl propionate 620.2
    nitromethane 1768.91
    1,2-diethoxyethane 824.34
    benzonitrile 1044.52
    trioctyl phosphate 230.67
    1-bromopropane 1199.15
    gamma-valerolactone 2140.39
    n-decanol 303.34
    triethyl phosphate 242.32
    4-methyl-2-pentanol 543.0
    propionitrile 1228.84
    vinylene carbonate 1123.37
    1,1,2-trichlorotrifluoroethane 1412.37
    DMS 718.78
    cumene 318.27
    2-octanol 350.83
    2-hexanone 801.96
    octyl acetate 421.53
    limonene 335.47
    1,2-dimethoxyethane 1448.38
    ethyl orthosilicate 229.98
    tributyl phosphate 304.88
    diacetone alcohol 948.22
    N,N-dimethylaniline 558.39
    acrylonitrile 1350.88
    aniline 1003.34
    1,3-propanediol 1039.48
    bromobenzene 1290.2
    dibromomethane 2035.65
    1,1,2,2-tetrachloroethane 2541.15
    2-methyl-cyclohexyl acetate 469.08
    tetrabutyl urea 358.71
    diisobutyl methanol 272.77
    2-phenylethanol 722.6
    styrene 572.38
    dioctyl adipate 446.16
    dimethyl sulfate 717.32
    ethyl butyrate 493.36
    methyl lactate 559.77
    butyl lactate 514.23
    diethyl carbonate 341.19
    propanediol butyl ether 941.21
    triethyl orthoformate 323.95
    p-tert-butyltoluene 229.56
    methyl 4-tert-butylbenzoate 624.94
    morpholine 2044.34
    tert-butylamine 1127.41
    n-dodecanol 214.55
    dimethoxymethane 1027.04
    ethylene carbonate 908.29
    cyrene 565.6
    2-ethoxyethyl acetate 706.68
    2-ethylhexyl acetate 583.33
    1,2,4-trichlorobenzene 1168.23
    4-methylpyridine 1696.52
    dibutyl ether 515.22
    2,6-dimethyl-4-heptanol 272.77
    DEF 1103.07
    dimethyl isosorbide 979.29
    tetrachloroethylene 1549.78
    eugenol 621.35
    triacetin 806.48
    span 80 704.41
    1,4-butanediol 484.92
    1,1-dichloroethane 2029.37
    2-methyl-1-pentanol 891.95
    methyl formate 822.27
    2-methyl-1-butanol 1124.01
    n-decane 63.87
    butyronitrile 1222.07
    3,7-dimethyl-1-octanol 566.5
    1-chlorooctane 330.48
    1-chlorotetradecane 110.82
    n-nonane 63.89
    undecane 45.73
    tert-butylcyclohexane 128.04
    cyclooctane 71.79
    cyclopentanol 1281.43
    tetrahydropyran 1861.32
    tert-amyl methyl ether 854.6
    2,5,8-trioxanonane 1021.31
    1-hexene 658.49
    2-isopropoxyethanol 721.96
    2,2,2-trifluoroethanol 460.37
    methyl butyrate 837.24

    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