Mumefural

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  • Identifiers

    CAS number
    222973-44-6

    Molecular formula
    C12H12O9

    SMILES
    C1=C(OC(=C1)C=O)COC(=O)CC(CC(=O)O)(C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.51%
    Caramellic 43.61%
    Buttery 34.06%
    Sweet 32.49%
    Sour 32.23%
    Winey 29.36%
    Burnt 27.53%
    Creamy 26.27%
    Fatty 26.21%
    Nutty 25.45%

     

    Flavor
    Odorless 59.43%
    Very mild 39.05%
    Mild 33.28%
    Sour 30.68%
    Bland 25.69%
    Musty 24.14%
    Yeast 22.74%
    Caramellic 22.14%
    Fruity 22.01%
    Nutty 21.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    3.64 (weak acid)

    Molecular weight
    300.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Flash point

    • 241.3 ˚C est.

  • Synonyms

    • Mumefural
    • 2-[2-[(5-formylfuran-2-yl)methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
    • 2-{2-[(5-formylfuran-2-yl)methoxy]-2-oxoethyl}-2-hydroxybutanedioic acid
    • 2-(2-((5-formylfuran-2-yl)methoxy)-2-oxoethyl)-2-hydroxybutanedioic acid
    • RefChem:926220
    • 222973-44-6
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-[(5-formyl-2-furanyl)methyl] ester
    • orb1981760
    • SCHEMBL21661767
    • CHEBI:178166
    • DTXSID001159408
    • HY-N8903
    • CS-0149344
    • 1-[(5-Formyl-2-furanyl)methyl] 2-hydroxy-1,2,3-propanetricarboxylate
    • 2-(2-((5-Formylfuran-2-yl)methoxy)-2-oxoethyl)-2-hydroxysuccinic acid
    • 2-[2-[(5-ormyluran-2-yl)methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
    • 1-[5-(2-formylfuryl)methyl] dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
    • 2-Hydroxy-1,2,3-propanetricarboxylic acid, 1-[(5-formyl-2-furanyl)methyl] ester, 9CI
    • 222973-44-6

  • Applications

    Mumefural (CAS 222973-44-6) is a fragrance ingredient used in perfumery to contribute fruity notes, particularly recalling plum-like fruit scents; it may be used as a flavoring agent in food formulations and beverages, subject to regulatory approval and formulation limits; in cosmetics and personal care, it serves as a fragrance component in products such as lotions, creams, and shampoos; in household products like detergents and air fresheners, it provides a recognizable fruity scent; in industrial manufacturing, it can function as an aroma intermediate or additive in the synthesis of other aroma compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.77
    methanol 415.07
    isopropanol 91.48
    water 23.13
    ethyl acetate 11.76
    n-propanol 93.97
    acetone 160.38
    n-butanol 45.29
    acetonitrile 27.08
    DMF 1626.24
    toluene 1.59
    isobutanol 36.65
    1,4-dioxane 110.81
    methyl acetate 36.59
    THF 334.58
    2-butanone 65.12
    n-pentanol 26.66
    sec-butanol 56.36
    n-hexane 0.41
    ethylene glycol 165.77
    NMP 487.25
    cyclohexane 0.61
    DMSO 2495.18
    n-butyl acetate 4.35
    n-octanol 8.24
    chloroform 1.95
    n-propyl acetate 11.15
    acetic acid 58.82
    dichloromethane 4.55
    cyclohexanone 41.57
    propylene glycol 128.78
    isopropyl acetate 6.75
    DMAc 1085.75
    2-ethoxyethanol 290.52
    isopentanol 26.78
    n-heptane 0.49
    ethyl formate 25.99
    1,2-dichloroethane 7.61
    n-hexanol 6.69
    2-methoxyethanol 636.27
    isobutyl acetate 3.37
    tetrachloromethane 0.37
    n-pentyl acetate 3.53
    transcutol 100.74
    n-heptanol 6.27
    ethylbenzene 1.53
    MIBK 13.41
    2-propoxyethanol 86.9
    tert-butanol 99.45
    MTBE 22.59
    2-butoxyethanol 34.09
    propionic acid 35.92
    o-xylene 2.28
    formic acid 201.09
    diethyl ether 24.1
    m-xylene 1.17
    p-xylene 1.84
    chlorobenzene 0.7
    dimethyl carbonate 44.34
    n-octane 0.32
    formamide 468.32
    cyclopentanone 106.75
    2-pentanone 30.34
    anisole 19.19
    cyclopentyl methyl ether 32.32
    gamma-butyrolactone 108.39
    1-methoxy-2-propanol 303.22
    pyridine 28.9
    3-pentanone 21.41
    furfural 70.46
    n-dodecane 0.32
    diethylene glycol 125.73
    diisopropyl ether 2.72
    tert-amyl alcohol 66.95
    acetylacetone 34.66
    n-hexadecane 0.35
    acetophenone 16.6
    methyl propionate 34.47
    isopentyl acetate 3.66
    trichloroethylene 6.96
    n-nonanol 8.22
    cyclohexanol 20.23
    benzyl alcohol 21.63
    2-ethylhexanol 3.07
    isooctanol 4.54
    dipropyl ether 11.04
    1,2-dichlorobenzene 1.02
    ethyl lactate 23.49
    propylene carbonate 19.8
    n-methylformamide 471.7
    2-pentanol 18.35
    n-pentane 0.47
    1-propoxy-2-propanol 41.89
    1-methoxy-2-propyl acetate 13.55
    2-(2-methoxypropoxy) propanol 45.7
    mesitylene 0.97
    ε-caprolactone 30.14
    p-cymene 0.95
    epichlorohydrin 101.43
    1,1,1-trichloroethane 1.36
    2-aminoethanol 234.4
    morpholine-4-carbaldehyde 337.99
    sulfolane 276.62
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 64.89
    n-hexyl acetate 6.23
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 55.46
    sec-butyl acetate 4.93
    tert-butyl acetate 9.91
    decalin 0.32
    glycerin 234.3
    diglyme 110.78
    acrylic acid 41.24
    isopropyl myristate 3.35
    n-butyric acid 20.43
    acetyl acetate 4.46
    di(2-ethylhexyl) phthalate 4.71
    ethyl propionate 12.97
    nitromethane 203.79
    1,2-diethoxyethane 18.07
    benzonitrile 5.62
    trioctyl phosphate 3.63
    1-bromopropane 3.19
    gamma-valerolactone 176.34
    n-decanol 6.21
    triethyl phosphate 5.92
    4-methyl-2-pentanol 7.3
    propionitrile 20.05
    vinylene carbonate 16.87
    1,1,2-trichlorotrifluoroethane 62.41
    DMS 8.18
    cumene 1.12
    2-octanol 4.28
    2-hexanone 19.52
    octyl acetate 5.04
    limonene 1.57
    1,2-dimethoxyethane 351.46
    ethyl orthosilicate 5.33
    tributyl phosphate 3.94
    diacetone alcohol 47.01
    N,N-dimethylaniline 17.41
    acrylonitrile 31.43
    aniline 10.35
    1,3-propanediol 182.64
    bromobenzene 0.46
    dibromomethane 1.89
    1,1,2,2-tetrachloroethane 8.22
    2-methyl-cyclohexyl acetate 5.12
    tetrabutyl urea 13.13
    diisobutyl methanol 2.46
    2-phenylethanol 7.95
    styrene 1.66
    dioctyl adipate 6.91
    dimethyl sulfate 107.84
    ethyl butyrate 6.26
    methyl lactate 66.48
    butyl lactate 8.32
    diethyl carbonate 4.9
    propanediol butyl ether 31.82
    triethyl orthoformate 7.66
    p-tert-butyltoluene 1.0
    methyl 4-tert-butylbenzoate 15.34
    morpholine 198.1
    tert-butylamine 23.7
    n-dodecanol 4.58
    dimethoxymethane 425.37
    ethylene carbonate 14.2
    cyrene 72.27
    2-ethoxyethyl acetate 6.84
    2-ethylhexyl acetate 2.46
    1,2,4-trichlorobenzene 2.04
    4-methylpyridine 21.33
    dibutyl ether 6.95
    2,6-dimethyl-4-heptanol 2.46
    DEF 92.42
    dimethyl isosorbide 51.82
    tetrachloroethylene 3.99
    eugenol 19.46
    triacetin 10.62
    span 80 21.63
    1,4-butanediol 84.63
    1,1-dichloroethane 2.38
    2-methyl-1-pentanol 15.04
    methyl formate 240.44
    2-methyl-1-butanol 28.24
    n-decane 0.59
    butyronitrile 13.68
    3,7-dimethyl-1-octanol 5.22
    1-chlorooctane 1.58
    1-chlorotetradecane 0.74
    n-nonane 0.54
    undecane 0.42
    tert-butylcyclohexane 0.21
    cyclooctane 0.27
    cyclopentanol 43.0
    tetrahydropyran 42.24
    tert-amyl methyl ether 20.87
    2,5,8-trioxanonane 93.62
    1-hexene 2.04
    2-isopropoxyethanol 92.37
    2,2,2-trifluoroethanol 35.32
    methyl butyrate 21.07

    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