3,4(2H,5H)-Furandione, 2,2,5,5-tetramethyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C8H12O3

    SMILES
    CC1(C(=O)C(=O)C(O1)(C)C)C

  • Odor profile

    Sweet 77.54%
    Caramellic 63.75%
    Burnt 44.93%
    Nutty 37.88%
    Tobacco 35.75%
    Fruity 33.54%
    Woody 31.7%
    Musty 30.57%
    Coffee 30.38%
    Roasted 30.35%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    156.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    176°C

    Flash point est.
    72.27 ˚C

  • Synonyms

    • 3,4(2H,5H)-Furandione, 2,2,5,5-tetramethyl-
    • 14744-18-4
    • 2,2,5,5-Tetramethyltetrahydro-3,4-furandione
    • 2,2,5,5-tetramethyloxolane-3,4-dione
    • DTXSID00338693
    • SCHEMBL9789733
    • DTXCID40289776
    • AKOS020761984
    • 2,2,5,5-tetramethyltetrahydrofuran-3,4-dione
    • 2,2,5,5-tetramethyl-3,4(2H,5H) furandione
    • 2,2,5,5-tetramethylfuran-3,4(2H,5H)-dione
    • 2,2,5,5-Tetramethyl-3,4(2H,5H)-furandione #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 685.91
    methanol 1105.09
    isopropanol 563.31
    water 82.2
    ethyl acetate 1283.95
    n-propanol 611.68
    acetone 1478.43
    n-butanol 496.69
    acetonitrile 1736.13
    DMF 1931.57
    toluene 912.2
    isobutanol 467.5
    1,4-dioxane 1653.28
    methyl acetate 1283.62
    THF 2170.58
    2-butanone 973.66
    n-pentanol 321.74
    sec-butanol 562.83
    n-hexane 248.85
    ethylene glycol 303.11
    NMP 2062.03
    cyclohexane 535.13
    DMSO 1038.46
    n-butyl acetate 537.92
    n-octanol 231.05
    chloroform 3691.38
    n-propyl acetate 591.37
    acetic acid 1690.0
    dichloromethane 3291.76
    cyclohexanone 1520.73
    propylene glycol 234.61
    isopropyl acetate 740.06
    DMAc 1450.27
    2-ethoxyethanol 643.4
    isopentanol 385.55
    n-heptane 144.89
    ethyl formate 872.94
    1,2-dichloroethane 1618.94
    n-hexanol 387.92
    2-methoxyethanol 1196.76
    isobutyl acetate 335.69
    tetrachloromethane 988.47
    n-pentyl acetate 382.7
    transcutol 855.35
    n-heptanol 180.72
    ethylbenzene 449.95
    MIBK 503.79
    2-propoxyethanol 721.66
    tert-butanol 604.05
    MTBE 725.84
    2-butoxyethanol 298.74
    propionic acid 885.67
    o-xylene 587.19
    formic acid 1114.37
    diethyl ether 1135.88
    m-xylene 621.24
    p-xylene 600.63
    chlorobenzene 1014.42
    dimethyl carbonate 691.08
    n-octane 64.01
    formamide 1366.55
    cyclopentanone 1681.32
    2-pentanone 852.56
    anisole 675.25
    cyclopentyl methyl ether 1413.41
    gamma-butyrolactone 2396.51
    1-methoxy-2-propanol 789.02
    pyridine 1338.78
    3-pentanone 881.45
    furfural 1693.05
    n-dodecane 45.84
    diethylene glycol 571.17
    diisopropyl ether 412.81
    tert-amyl alcohol 556.2
    acetylacetone 1112.84
    n-hexadecane 53.74
    acetophenone 657.71
    methyl propionate 1091.62
    isopentyl acetate 426.26
    trichloroethylene 3208.53
    n-nonanol 203.6
    cyclohexanol 855.5
    benzyl alcohol 449.76
    2-ethylhexanol 248.18
    isooctanol 150.82
    dipropyl ether 415.69
    1,2-dichlorobenzene 956.73
    ethyl lactate 296.78
    propylene carbonate 1215.2
    n-methylformamide 1304.46
    2-pentanol 424.77
    n-pentane 226.9
    1-propoxy-2-propanol 418.54
    1-methoxy-2-propyl acetate 586.55
    2-(2-methoxypropoxy) propanol 269.52
    mesitylene 403.14
    ε-caprolactone 1338.98
    p-cymene 245.69
    epichlorohydrin 2011.03
    1,1,1-trichloroethane 2026.76
    2-aminoethanol 383.4
    morpholine-4-carbaldehyde 1583.78
    sulfolane 1885.67
    2,2,4-trimethylpentane 116.39
    2-methyltetrahydrofuran 1603.51
    n-hexyl acetate 581.65
    isooctane 69.36
    2-(2-butoxyethoxy)ethanol 325.34
    sec-butyl acetate 417.32
    tert-butyl acetate 671.26
    decalin 187.92
    glycerin 377.32
    diglyme 759.08
    acrylic acid 931.04
    isopropyl myristate 196.31
    n-butyric acid 832.61
    acetyl acetate 1044.26
    di(2-ethylhexyl) phthalate 158.15
    ethyl propionate 653.33
    nitromethane 3092.56
    1,2-diethoxyethane 463.36
    benzonitrile 741.27
    trioctyl phosphate 132.34
    1-bromopropane 909.41
    gamma-valerolactone 1859.7
    n-decanol 144.28
    triethyl phosphate 268.51
    4-methyl-2-pentanol 231.53
    propionitrile 947.18
    vinylene carbonate 1209.54
    1,1,2-trichlorotrifluoroethane 1276.5
    DMS 662.07
    cumene 285.03
    2-octanol 168.62
    2-hexanone 485.53
    octyl acetate 253.39
    limonene 341.6
    1,2-dimethoxyethane 1109.85
    ethyl orthosilicate 256.82
    tributyl phosphate 177.95
    diacetone alcohol 508.07
    N,N-dimethylaniline 493.06
    acrylonitrile 1157.79
    aniline 712.89
    1,3-propanediol 515.63
    bromobenzene 1136.04
    dibromomethane 2128.62
    1,1,2,2-tetrachloroethane 2275.66
    2-methyl-cyclohexyl acetate 362.25
    tetrabutyl urea 224.38
    diisobutyl methanol 151.28
    2-phenylethanol 423.5
    styrene 519.41
    dioctyl adipate 241.56
    dimethyl sulfate 1022.58
    ethyl butyrate 460.21
    methyl lactate 439.98
    butyl lactate 257.05
    diethyl carbonate 348.75
    propanediol butyl ether 247.01
    triethyl orthoformate 337.73
    p-tert-butyltoluene 253.97
    methyl 4-tert-butylbenzoate 439.67
    morpholine 1548.78
    tert-butylamine 462.43
    n-dodecanol 110.05
    dimethoxymethane 1394.66
    ethylene carbonate 1063.26
    cyrene 398.55
    2-ethoxyethyl acetate 504.59
    2-ethylhexyl acetate 387.78
    1,2,4-trichlorobenzene 1044.39
    4-methylpyridine 1348.14
    dibutyl ether 299.8
    2,6-dimethyl-4-heptanol 151.28
    DEF 1080.5
    dimethyl isosorbide 594.49
    tetrachloroethylene 1708.54
    eugenol 327.27
    triacetin 508.33
    span 80 234.58
    1,4-butanediol 224.88
    1,1-dichloroethane 1751.17
    2-methyl-1-pentanol 284.57
    methyl formate 1339.48
    2-methyl-1-butanol 430.84
    n-decane 81.01
    butyronitrile 789.42
    3,7-dimethyl-1-octanol 200.62
    1-chlorooctane 246.78
    1-chlorotetradecane 98.91
    n-nonane 87.1
    undecane 58.07
    tert-butylcyclohexane 148.76
    cyclooctane 202.81
    cyclopentanol 905.21
    tetrahydropyran 1505.75
    tert-amyl methyl ether 644.45
    2,5,8-trioxanonane 451.03
    1-hexene 433.7
    2-isopropoxyethanol 417.42
    2,2,2-trifluoroethanol 1000.83
    methyl butyrate 722.14

    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
Plinia rubrinervis (Cuba) Plinia rubrinervis Urb., fam. Myrtaceae 3.8%