2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone

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  • Identifiers

    CAS number
    80873-59-2

    Molecular formula
    C10H15NO2

    SMILES
    CC1C(=O)C(=C(O1)C)N2CCCC2

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 55.94%
    Nutty 53.6%
    Roasted 53.54%
    Sweet 44.02%
    Burnt 39.15%
    Popcorn 34.3%
    Coffee 26.35%
    Buttery 23.68%
    Meaty 23.11%
    Coumarinic 20.27%

     

    Flavor
    Bitter 44.86%
    Roasted 21.94%
    Fruity 21.7%
    Taco 20.55%
    Lovage 20.51%
    Leaves 20.5%
    Ripe apricot 20.5%
    Extremely sweet 20.46%
    Cotton candy 20.44%
    Seedy 20.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.04 (neutral)

    Molecular weight
    181.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 121.79 ˚C est.

  • Synonyms

    • 2,5-dimethyl-4-(1-pyrrolidinyl)-3(2h)-furanone
    • 80873-59-2
    • 2,5-dimethyl-4-(pyrrolidin-1-yl)-2,3-dihydrofuran-3-one
    • RefChem:82949
    • FRPGHNBHIDMQGT-UHFFFAOYSA-N
    • 2,5-Dimethyl-4-(pyrrolidin-1-yl)furan-3(2H)-one
    • DMPF
    • SCHEMBL119492
    • CHEBI:173513
    • DTXSID301246256
    • 2,5-dimethyl-4-pyrrolidin-1-yluran-3-one
    • 3(2H)-Furanone, 2,5-dimethyl-4-(1-pyrrolidinyl)
    • 80873-59-2

  • Applications

    2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone (CAS 80873-59-2) is commonly used as an intermediate or building block in fragrance and cosmetic ingredient synthesis, and is also evaluated for pharmaceutical and other functional-chemical routes. In the materials arena, it can serve as a precursor for specialty polymers and coatings/inks formulations, where the lactone–amine structure enables functionalization and crosslinking. Additionally, given its lactone and amine features, it may be explored for broader industrial manufacturing applications and formulation development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 338.96
    methanol 693.57
    isopropanol 200.32
    water 47.54
    ethyl acetate 163.2
    n-propanol 247.65
    acetone 203.08
    n-butanol 202.84
    acetonitrile 277.49
    DMF 432.16
    toluene 118.13
    isobutanol 181.79
    1,4-dioxane 227.65
    methyl acetate 182.13
    THF 263.71
    2-butanone 169.26
    n-pentanol 141.95
    sec-butanol 171.62
    n-hexane 4.89
    ethylene glycol 272.17
    NMP 355.62
    cyclohexane 14.32
    DMSO 315.08
    n-butyl acetate 114.11
    n-octanol 93.8
    chloroform 1283.17
    n-propyl acetate 103.79
    acetic acid 444.52
    dichloromethane 1274.68
    cyclohexanone 281.08
    propylene glycol 180.55
    isopropyl acetate 98.64
    DMAc 288.31
    2-ethoxyethanol 270.35
    isopentanol 146.28
    n-heptane 6.36
    ethyl formate 279.65
    1,2-dichloroethane 419.8
    n-hexanol 127.61
    2-methoxyethanol 455.2
    isobutyl acetate 70.3
    tetrachloromethane 163.83
    n-pentyl acetate 103.05
    transcutol 297.87
    n-heptanol 87.59
    ethylbenzene 69.49
    MIBK 90.87
    2-propoxyethanol 248.75
    tert-butanol 148.46
    MTBE 68.34
    2-butoxyethanol 169.12
    propionic acid 266.74
    o-xylene 90.14
    formic acid 429.39
    diethyl ether 73.22
    m-xylene 89.86
    p-xylene 96.16
    chlorobenzene 284.65
    dimethyl carbonate 111.24
    n-octane 5.55
    formamide 382.78
    cyclopentanone 316.67
    2-pentanone 122.42
    anisole 143.43
    cyclopentyl methyl ether 113.86
    gamma-butyrolactone 448.86
    1-methoxy-2-propanol 252.01
    pyridine 358.02
    3-pentanone 102.34
    furfural 609.87
    n-dodecane 8.27
    diethylene glycol 325.49
    diisopropyl ether 25.49
    tert-amyl alcohol 125.18
    acetylacetone 170.96
    n-hexadecane 9.37
    acetophenone 173.22
    methyl propionate 154.83
    isopentyl acetate 103.18
    trichloroethylene 937.3
    n-nonanol 78.08
    cyclohexanol 166.82
    benzyl alcohol 222.1
    2-ethylhexanol 72.02
    isooctanol 72.12
    dipropyl ether 40.65
    1,2-dichlorobenzene 276.09
    ethyl lactate 124.93
    propylene carbonate 327.02
    n-methylformamide 379.6
    2-pentanol 100.75
    n-pentane 7.58
    1-propoxy-2-propanol 138.88
    1-methoxy-2-propyl acetate 130.82
    2-(2-methoxypropoxy) propanol 130.77
    mesitylene 58.02
    ε-caprolactone 282.14
    p-cymene 58.67
    epichlorohydrin 455.85
    1,1,1-trichloroethane 354.27
    2-aminoethanol 305.13
    morpholine-4-carbaldehyde 392.86
    sulfolane 448.57
    2,2,4-trimethylpentane 7.77
    2-methyltetrahydrofuran 167.14
    n-hexyl acetate 140.69
    isooctane 6.11
    2-(2-butoxyethoxy)ethanol 166.3
    sec-butyl acetate 70.61
    tert-butyl acetate 85.94
    decalin 13.07
    glycerin 301.75
    diglyme 295.02
    acrylic acid 329.5
    isopropyl myristate 57.89
    n-butyric acid 300.55
    acetyl acetate 160.79
    di(2-ethylhexyl) phthalate 85.3
    ethyl propionate 105.39
    nitromethane 490.75
    1,2-diethoxyethane 88.3
    benzonitrile 331.52
    trioctyl phosphate 60.79
    1-bromopropane 159.91
    gamma-valerolactone 417.42
    n-decanol 58.42
    triethyl phosphate 69.5
    4-methyl-2-pentanol 62.11
    propionitrile 221.07
    vinylene carbonate 404.59
    1,1,2-trichlorotrifluoroethane 428.73
    DMS 139.44
    cumene 57.66
    2-octanol 63.4
    2-hexanone 89.72
    octyl acetate 79.8
    limonene 67.11
    1,2-dimethoxyethane 254.23
    ethyl orthosilicate 59.75
    tributyl phosphate 67.25
    diacetone alcohol 125.62
    N,N-dimethylaniline 97.05
    acrylonitrile 392.43
    aniline 198.55
    1,3-propanediol 326.27
    bromobenzene 286.45
    dibromomethane 642.0
    1,1,2,2-tetrachloroethane 592.73
    2-methyl-cyclohexyl acetate 91.13
    tetrabutyl urea 84.5
    diisobutyl methanol 40.9
    2-phenylethanol 174.27
    styrene 89.72
    dioctyl adipate 91.24
    dimethyl sulfate 175.32
    ethyl butyrate 93.7
    methyl lactate 151.34
    butyl lactate 109.69
    diethyl carbonate 89.16
    propanediol butyl ether 160.91
    triethyl orthoformate 70.63
    p-tert-butyltoluene 50.93
    methyl 4-tert-butylbenzoate 148.07
    morpholine 226.39
    tert-butylamine 85.35
    n-dodecanol 45.19
    dimethoxymethane 229.48
    ethylene carbonate 297.13
    cyrene 164.1
    2-ethoxyethyl acetate 131.48
    2-ethylhexyl acetate 82.87
    1,2,4-trichlorobenzene 317.13
    4-methylpyridine 322.45
    dibutyl ether 50.16
    2,6-dimethyl-4-heptanol 40.9
    DEF 162.76
    dimethyl isosorbide 199.16
    tetrachloroethylene 485.36
    eugenol 170.13
    triacetin 150.07
    span 80 117.82
    1,4-butanediol 192.09
    1,1-dichloroethane 377.82
    2-methyl-1-pentanol 124.47
    methyl formate 370.52
    2-methyl-1-butanol 153.75
    n-decane 11.3
    butyronitrile 216.7
    3,7-dimethyl-1-octanol 76.71
    1-chlorooctane 55.94
    1-chlorotetradecane 26.92
    n-nonane 9.87
    undecane 9.51
    tert-butylcyclohexane 11.32
    cyclooctane 5.79
    cyclopentanol 190.43
    tetrahydropyran 137.19
    tert-amyl methyl ether 60.09
    2,5,8-trioxanonane 195.81
    1-hexene 26.09
    2-isopropoxyethanol 155.76
    2,2,2-trifluoroethanol 254.03
    methyl butyrate 145.33

    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