Ipomeanine

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  • Identifiers

    CAS number
    496-06-0

    Molecular formula
    C9H10O3

    SMILES
    CC(=O)CCC(=O)C1=COC=C1

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 71.51%
    Nutty 47.25%
    Burnt 47.23%
    Sweet 44.8%
    Roasted 40.12%
    Fruity 36.1%
    Buttery 34.99%
    Woody 34.64%
    Creamy 34.2%
    Vanilla 31.36%

     

    Flavor
    Sweet 73.67%
    Caramel 57.28%
    Creamy 40.92%
    Fruity 39.45%
    Nutty 32.88%
    Buttery 29.22%
    Butter 28.94%
    Tobacco 28.88%
    Musty 28.27%
    Oily 27.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.63 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    285°C

    Melting point expt.

    • 42 - 43 °C

    Flash point

    • 115.32 ˚C est.

  • Synonyms

    • 1-(furan-3-yl)pentane-1,4-dione
    • 496-06-0
    • Ipomeanine
    • Ipomeanin
    • 1-(3-Furanyl)-1,4-pentanedione
    • 1-(3-Furyl)-1,4-pentanedione
    • beta-(gamma-Oxovaleroyl)furan
    • 1,4-Pentanedione, 1-(3-furyl)-
    • 1,4-Pentanedione, 1-(3-furanyl)-
    • 3137OSG29L
    • NSC-347116
    • DTXSID50197919
    • RefChem:148642
    • DTXCID60120410
    • NSC 347116
    • BRN 0125898
    • 1-(3-furyl)pentane-1,4-dione
    • MFCD01709274
    • 5-17-11-00137 (Beilstein Handbook Reference)
    • UNII-3137OSG29L
    • SCHEMBL17393680
    • CHEBI:173750
    • 1-furan-3-yl-pentane-1,4-dione
    • 1-(uran-3-yl)pentane-1,4-dione
    • NSC347116
    • AKOS006279862
    • .BETA.-(.GAMMA.-OXOVALEROYL)FURAN
    • DB-290889
    • 1,4-Pentanedione, 1-(3-furanyl)- (9CI)
    • 496-06-0

  • Applications

    Ipomeanine (CAS 496-06-0) is primarily employed as an intermediate in organic synthesis. It is commonly evaluated for fragrance and odorant applications and may be used in cosmetics/personal care formulations as a scent component. It may also be explored for flavor/aroma use in restricted food contexts, where permitted. In pharmaceutical research, it can serve as a synthetic building block or precursor. In industrial manufacturing, it can function as a starting material for specialty chemicals, and it has potential use as an additive or intermediate in coatings/inks, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.07
    methanol 636.14
    isopropanol 236.65
    water 21.45
    ethyl acetate 134.96
    n-propanol 174.27
    acetone 361.96
    n-butanol 147.89
    acetonitrile 325.91
    DMF 980.26
    toluene 70.03
    isobutanol 136.1
    1,4-dioxane 415.3
    methyl acetate 264.56
    THF 287.67
    2-butanone 240.41
    n-pentanol 99.68
    sec-butanol 157.02
    n-hexane 2.62
    ethylene glycol 191.36
    NMP 508.43
    cyclohexane 4.8
    DMSO 733.61
    n-butyl acetate 55.48
    n-octanol 38.87
    chloroform 273.58
    n-propyl acetate 69.77
    acetic acid 332.4
    dichloromethane 287.39
    cyclohexanone 199.52
    propylene glycol 186.3
    isopropyl acetate 70.09
    DMAc 1131.52
    2-ethoxyethanol 310.22
    isopentanol 142.69
    n-heptane 1.94
    ethyl formate 133.11
    1,2-dichloroethane 158.56
    n-hexanol 57.28
    2-methoxyethanol 530.47
    isobutyl acetate 49.47
    tetrachloromethane 25.78
    n-pentyl acetate 32.66
    transcutol 674.3
    n-heptanol 28.2
    ethylbenzene 43.81
    MIBK 83.99
    2-propoxyethanol 149.96
    tert-butanol 314.83
    MTBE 147.63
    2-butoxyethanol 83.06
    propionic acid 203.91
    o-xylene 62.02
    formic acid 366.61
    diethyl ether 95.25
    m-xylene 47.16
    p-xylene 63.81
    chlorobenzene 82.24
    dimethyl carbonate 98.17
    n-octane 1.08
    formamide 581.27
    cyclopentanone 231.04
    2-pentanone 123.13
    anisole 162.01
    cyclopentyl methyl ether 97.45
    gamma-butyrolactone 259.37
    1-methoxy-2-propanol 285.01
    pyridine 246.92
    3-pentanone 101.49
    furfural 340.18
    n-dodecane 1.8
    diethylene glycol 224.18
    diisopropyl ether 21.48
    tert-amyl alcohol 225.91
    acetylacetone 162.43
    n-hexadecane 2.06
    acetophenone 145.12
    methyl propionate 139.66
    isopentyl acetate 60.9
    trichloroethylene 341.46
    n-nonanol 35.29
    cyclohexanol 113.6
    benzyl alcohol 155.28
    2-ethylhexanol 38.58
    isooctanol 26.61
    dipropyl ether 28.16
    1,2-dichlorobenzene 84.59
    ethyl lactate 64.94
    propylene carbonate 142.01
    n-methylformamide 420.58
    2-pentanol 77.96
    n-pentane 2.26
    1-propoxy-2-propanol 92.8
    1-methoxy-2-propyl acetate 87.77
    2-(2-methoxypropoxy) propanol 145.05
    mesitylene 25.59
    ε-caprolactone 159.19
    p-cymene 20.64
    epichlorohydrin 307.76
    1,1,1-trichloroethane 122.2
    2-aminoethanol 259.12
    morpholine-4-carbaldehyde 515.56
    sulfolane 304.23
    2,2,4-trimethylpentane 4.78
    2-methyltetrahydrofuran 192.08
    n-hexyl acetate 60.65
    isooctane 2.42
    2-(2-butoxyethoxy)ethanol 169.17
    sec-butyl acetate 53.1
    tert-butyl acetate 83.6
    decalin 6.24
    glycerin 280.78
    diglyme 318.3
    acrylic acid 221.23
    isopropyl myristate 26.88
    n-butyric acid 154.73
    acetyl acetate 93.33
    di(2-ethylhexyl) phthalate 39.84
    ethyl propionate 69.63
    nitromethane 606.85
    1,2-diethoxyethane 105.89
    benzonitrile 138.06
    trioctyl phosphate 22.56
    1-bromopropane 62.73
    gamma-valerolactone 347.23
    n-decanol 26.37
    triethyl phosphate 40.65
    4-methyl-2-pentanol 52.88
    propionitrile 157.36
    vinylene carbonate 155.58
    1,1,2-trichlorotrifluoroethane 297.79
    DMS 90.26
    cumene 32.02
    2-octanol 20.05
    2-hexanone 86.98
    octyl acetate 34.4
    limonene 27.77
    1,2-dimethoxyethane 404.99
    ethyl orthosilicate 37.19
    tributyl phosphate 31.72
    diacetone alcohol 159.09
    N,N-dimethylaniline 123.39
    acrylonitrile 241.73
    aniline 161.37
    1,3-propanediol 272.06
    bromobenzene 69.36
    dibromomethane 137.28
    1,1,2,2-tetrachloroethane 238.78
    2-methyl-cyclohexyl acetate 53.64
    tetrabutyl urea 48.58
    diisobutyl methanol 25.23
    2-phenylethanol 81.3
    styrene 56.9
    dioctyl adipate 49.42
    dimethyl sulfate 198.1
    ethyl butyrate 50.35
    methyl lactate 124.09
    butyl lactate 43.66
    diethyl carbonate 48.5
    propanediol butyl ether 118.31
    triethyl orthoformate 44.36
    p-tert-butyltoluene 19.79
    methyl 4-tert-butylbenzoate 85.66
    morpholine 441.29
    tert-butylamine 138.1
    n-dodecanol 20.19
    dimethoxymethane 278.51
    ethylene carbonate 113.59
    cyrene 143.7
    2-ethoxyethyl acetate 70.0
    2-ethylhexyl acetate 46.11
    1,2,4-trichlorobenzene 118.83
    4-methylpyridine 275.97
    dibutyl ether 35.79
    2,6-dimethyl-4-heptanol 25.23
    DEF 236.21
    dimethyl isosorbide 162.78
    tetrachloroethylene 148.83
    eugenol 93.35
    triacetin 95.07
    span 80 81.05
    1,4-butanediol 123.96
    1,1-dichloroethane 157.23
    2-methyl-1-pentanol 111.26
    methyl formate 288.79
    2-methyl-1-butanol 128.61
    n-decane 2.7
    butyronitrile 133.54
    3,7-dimethyl-1-octanol 48.06
    1-chlorooctane 16.14
    1-chlorotetradecane 7.28
    n-nonane 2.17
    undecane 2.13
    tert-butylcyclohexane 6.04
    cyclooctane 1.66
    cyclopentanol 115.98
    tetrahydropyran 169.19
    tert-amyl methyl ether 106.59
    2,5,8-trioxanonane 233.05
    1-hexene 18.95
    2-isopropoxyethanol 173.86
    2,2,2-trifluoroethanol 164.86
    methyl butyrate 100.13

    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