3,5,5-Trimethyl-2(5H)-furanone

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  • Identifiers

    CAS number
    50598-50-0

    Molecular formula
    C7H10O2

    SMILES
    CC1=CC(OC1=O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 65.21%
    Mint 58.17%
    Herbal 54.1%
    Tobacco 53.45%
    Hay 39.91%
    Woody 39.59%
    Coumarinic 37.92%
    Nutty 36.41%
    Caramellic 35.79%
    Camphoreous 35.27%

     

    Flavor
    Fruity 52.02%
    Tobacco 51.44%
    Woody 48.24%
    Sweet 47.77%
    Herbal 43.23%
    Minty 38.13%
    Camphor 32.07%
    Caramel 27.68%
    Phenolic 26.77%
    Mint 24.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.73 (neutral)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point

    • 60.0 ˚C est.

  • Synonyms

    • 3,5,5-TRIMETHYL-2(5H)-FURANONE
    • 50598-50-0
    • DQP7Q0T53Q
    • DTXSID90198642
    • RefChem:1065851
    • DTXCID50121133
    • 3,5,5-trimethylfuran-2-one
    • 3,5,5-trimethylfuran-2(5H)-one
    • UNII-DQP7Q0T53Q
    • 2,4,4-Trimethyl-2-butenolide
    • 2(5H)-Furanone, 3,5,5-trimethyl-
    • 5-trimethyl-2(5h)-furanone
    • SCHEMBL3232301
    • 3,5,5-Trimethyl-2(5H)-furanone #
    • Q27276544
    • 50598-50-0

  • Applications

    3,5,5-Trimethyl-2(5H)-furanone (CAS 50598-50-0) is primarily used as an aroma compound in perfumery and flavor applications, contributing a green, fruity note to fragrance blends and taste formulations. It is commonly evaluated as an intermediate in fragrance synthesis and can serve as an odorant in cosmetics and personal care products. In industrial contexts, it may be used as a specialty additive in coatings, inks, and plastics to impart fragrance and, where permitted, influence volatility. Its use is governed by formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1359.0
    methanol 1766.59
    isopropanol 1103.09
    water 62.15
    ethyl acetate 973.11
    n-propanol 1048.18
    acetone 1032.1
    n-butanol 989.75
    acetonitrile 1160.7
    DMF 1233.93
    toluene 515.57
    isobutanol 866.6
    1,4-dioxane 1321.64
    methyl acetate 848.44
    THF 1802.49
    2-butanone 813.38
    n-pentanol 696.35
    sec-butanol 1026.75
    n-hexane 279.04
    ethylene glycol 428.74
    NMP 1276.3
    cyclohexane 254.82
    DMSO 712.2
    n-butyl acetate 432.42
    n-octanol 443.06
    chloroform 1991.63
    n-propyl acetate 441.93
    acetic acid 1656.06
    dichloromethane 1739.2
    cyclohexanone 956.37
    propylene glycol 489.23
    isopropyl acetate 577.08
    DMAc 996.53
    2-ethoxyethanol 890.95
    isopentanol 796.51
    n-heptane 119.17
    ethyl formate 652.62
    1,2-dichloroethane 883.63
    n-hexanol 808.04
    2-methoxyethanol 1531.37
    isobutyl acetate 270.41
    tetrachloromethane 405.04
    n-pentyl acetate 348.95
    transcutol 1498.65
    n-heptanol 332.37
    ethylbenzene 276.93
    MIBK 486.35
    2-propoxyethanol 1145.43
    tert-butanol 1266.45
    MTBE 877.7
    2-butoxyethanol 487.39
    propionic acid 865.78
    o-xylene 324.2
    formic acid 880.82
    diethyl ether 1085.68
    m-xylene 412.82
    p-xylene 361.45
    chlorobenzene 551.74
    dimethyl carbonate 397.41
    n-octane 52.19
    formamide 734.23
    cyclopentanone 1019.03
    2-pentanone 791.28
    anisole 520.8
    cyclopentyl methyl ether 983.39
    gamma-butyrolactone 1248.0
    1-methoxy-2-propanol 1151.62
    pyridine 745.33
    3-pentanone 606.23
    furfural 1017.8
    n-dodecane 48.9
    diethylene glycol 816.35
    diisopropyl ether 373.99
    tert-amyl alcohol 1010.15
    acetylacetone 789.14
    n-hexadecane 53.68
    acetophenone 403.63
    methyl propionate 723.58
    isopentyl acetate 388.46
    trichloroethylene 1531.28
    n-nonanol 361.28
    cyclohexanol 828.64
    benzyl alcohol 388.94
    2-ethylhexanol 363.0
    isooctanol 252.87
    dipropyl ether 408.98
    1,2-dichlorobenzene 480.44
    ethyl lactate 249.54
    propylene carbonate 697.19
    n-methylformamide 841.38
    2-pentanol 759.0
    n-pentane 243.62
    1-propoxy-2-propanol 633.88
    1-methoxy-2-propyl acetate 483.7
    2-(2-methoxypropoxy) propanol 405.58
    mesitylene 252.54
    ε-caprolactone 885.78
    p-cymene 160.74
    epichlorohydrin 1291.03
    1,1,1-trichloroethane 1018.93
    2-aminoethanol 682.26
    morpholine-4-carbaldehyde 1193.57
    sulfolane 1015.11
    2,2,4-trimethylpentane 116.83
    2-methyltetrahydrofuran 1400.63
    n-hexyl acetate 617.37
    isooctane 90.37
    2-(2-butoxyethoxy)ethanol 592.26
    sec-butyl acetate 338.54
    tert-butyl acetate 595.43
    decalin 126.82
    glycerin 606.46
    diglyme 871.03
    acrylic acid 727.23
    isopropyl myristate 218.04
    n-butyric acid 963.61
    acetyl acetate 617.58
    di(2-ethylhexyl) phthalate 180.18
    ethyl propionate 472.04
    nitromethane 1637.89
    1,2-diethoxyethane 523.44
    benzonitrile 502.57
    trioctyl phosphate 153.61
    1-bromopropane 747.21
    gamma-valerolactone 1254.61
    n-decanol 255.05
    triethyl phosphate 169.28
    4-methyl-2-pentanol 417.86
    propionitrile 724.52
    vinylene carbonate 679.57
    1,1,2-trichlorotrifluoroethane 805.2
    DMS 439.3
    cumene 205.54
    2-octanol 270.26
    2-hexanone 471.78
    octyl acetate 285.81
    limonene 230.89
    1,2-dimethoxyethane 1084.91
    ethyl orthosilicate 172.83
    tributyl phosphate 188.7
    diacetone alcohol 602.72
    N,N-dimethylaniline 349.67
    acrylonitrile 762.21
    aniline 513.13
    1,3-propanediol 845.88
    bromobenzene 531.86
    dibromomethane 1197.37
    1,1,2,2-tetrachloroethane 1155.17
    2-methyl-cyclohexyl acetate 284.61
    tetrabutyl urea 227.73
    diisobutyl methanol 192.17
    2-phenylethanol 445.54
    styrene 303.27
    dioctyl adipate 249.91
    dimethyl sulfate 508.2
    ethyl butyrate 323.81
    methyl lactate 374.92
    butyl lactate 250.3
    diethyl carbonate 218.37
    propanediol butyl ether 460.46
    triethyl orthoformate 234.19
    p-tert-butyltoluene 172.23
    methyl 4-tert-butylbenzoate 380.55
    morpholine 1466.07
    tert-butylamine 842.37
    n-dodecanol 190.63
    dimethoxymethane 1072.28
    ethylene carbonate 567.28
    cyrene 380.75
    2-ethoxyethyl acetate 455.0
    2-ethylhexyl acetate 310.7
    1,2,4-trichlorobenzene 540.19
    4-methylpyridine 887.89
    dibutyl ether 360.81
    2,6-dimethyl-4-heptanol 192.17
    DEF 849.22
    dimethyl isosorbide 591.76
    tetrachloroethylene 751.11
    eugenol 352.18
    triacetin 411.79
    span 80 373.38
    1,4-butanediol 399.75
    1,1-dichloroethane 1101.68
    2-methyl-1-pentanol 589.04
    methyl formate 756.52
    2-methyl-1-butanol 819.9
    n-decane 80.06
    butyronitrile 798.45
    3,7-dimethyl-1-octanol 355.24
    1-chlorooctane 264.64
    1-chlorotetradecane 109.7
    n-nonane 80.62
    undecane 60.23
    tert-butylcyclohexane 132.68
    cyclooctane 106.98
    cyclopentanol 865.02
    tetrahydropyran 1199.06
    tert-amyl methyl ether 728.67
    2,5,8-trioxanonane 576.73
    1-hexene 546.66
    2-isopropoxyethanol 609.25
    2,2,2-trifluoroethanol 642.76
    methyl butyrate 537.51

    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