Ethyl maltol isobutyrate

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  • Identifiers

    CAS number
    852997-28-5

    Molecular formula
    C11H14O4

    SMILES
    CCC1=C(C(=O)C=CO1)OC(=O)C(C)C

  • Odor profile

    Fragrance
    Fruity 98.32%
    Caramellic 74.43%
    Berry 67.07%
    Sweet 62.39%
    Strawberry 55.72%
    Tropical 53.08%
    Pineapple 38.8%
    Burnt 35.03%
    Buttery 30.61%
    Creamy 26.2%

     

    Flavor
    Fruity 64.3%
    Caramel 40.44%
    Sweet 39.23%
    Creamy 26.91%
    Berry 25.24%
    Grape 24.68%
    Toffee 20.65%
    Tropical 20.5%
    Molasses 20.33%
    Mildew 20.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.73 (neutral)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 122.49 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl maltol isobutyrate
    • FEMA No. 4534
    • UNII-15669DI8SM
    • 852997-28-5
    • 15669DI8SM
    • Propanoic acid, 2-methyl-, 2-ethyl-4-oxo-4H-pyran-3-yl ester
    • DTXSID90234498
    • Ethyl maltol isobutyrate 2-ethyl-3-((3-methylbut-1-en- 2-yl)oxy)-4H-pyran-4-one
    • (2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate
    • SCHEMBL18339453
    • DTXCID90156989
    • ethyl maltol isobutyrate;FEMA No. 4534
    • Q27251696
    • ETHYL MALTOL ISOBUTYRATE 2-ETHYL-3-((3-METHYLBUT-1-EN-2-YL)OXY)-4H-PYRAN-4-ONE

  • Applications

    Ethyl maltol isobutyrate (CAS 852997-28-5) is used mainly as an aroma compound and flavor modifier in fragrance and flavor applications, contributing caramel-like, sweet notes; it is commonly evaluated as a fragrance ingredient in cosmetics and personal care products and may act as a fixative to stabilize and extend aroma. It is also employed in household products and cleaning formulations to impart pleasant scents. In industrial manufacturing, it can function as an aroma intermediate in fragrance synthesis. In polymers/plastics, it may be used as an odorant additive or processing aid to influence scent release in scented formulations. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 344.61
    methanol 450.56
    isopropanol 258.05
    water 1.19
    ethyl acetate 706.24
    n-propanol 289.15
    acetone 1140.11
    n-butanol 283.96
    acetonitrile 609.32
    DMF 1323.75
    toluene 693.71
    isobutanol 248.55
    1,4-dioxane 740.66
    methyl acetate 863.38
    THF 1015.67
    2-butanone 925.17
    n-pentanol 211.79
    sec-butanol 312.83
    n-hexane 14.82
    ethylene glycol 61.44
    NMP 1370.01
    cyclohexane 61.17
    DMSO 719.38
    n-butyl acetate 496.81
    n-octanol 111.09
    chloroform 1346.49
    n-propyl acetate 380.26
    acetic acid 665.03
    dichloromethane 1714.88
    cyclohexanone 1175.13
    propylene glycol 63.39
    isopropyl acetate 378.64
    DMAc 1396.61
    2-ethoxyethanol 340.43
    isopentanol 295.29
    n-heptane 11.7
    ethyl formate 538.59
    1,2-dichloroethane 1042.73
    n-hexanol 193.49
    2-methoxyethanol 543.29
    isobutyl acetate 215.02
    tetrachloromethane 144.93
    n-pentyl acetate 250.77
    transcutol 674.68
    n-heptanol 109.05
    ethylbenzene 263.46
    MIBK 301.98
    2-propoxyethanol 338.11
    tert-butanol 351.66
    MTBE 448.48
    2-butoxyethanol 228.0
    propionic acid 386.44
    o-xylene 372.21
    formic acid 259.8
    diethyl ether 350.75
    m-xylene 316.96
    p-xylene 391.12
    chlorobenzene 700.56
    dimethyl carbonate 295.02
    n-octane 9.02
    formamide 562.26
    cyclopentanone 1136.37
    2-pentanone 593.51
    anisole 427.54
    cyclopentyl methyl ether 460.06
    gamma-butyrolactone 1346.02
    1-methoxy-2-propanol 348.8
    pyridine 1398.8
    3-pentanone 495.62
    furfural 1297.95
    n-dodecane 10.3
    diethylene glycol 228.96
    diisopropyl ether 97.76
    tert-amyl alcohol 392.59
    acetylacetone 729.28
    n-hexadecane 12.37
    acetophenone 486.77
    methyl propionate 591.7
    isopentyl acetate 434.44
    trichloroethylene 2310.88
    n-nonanol 98.59
    cyclohexanol 386.78
    benzyl alcohol 410.99
    2-ethylhexanol 145.26
    isooctanol 92.27
    dipropyl ether 112.1
    1,2-dichlorobenzene 511.93
    ethyl lactate 140.45
    propylene carbonate 729.55
    n-methylformamide 634.85
    2-pentanol 190.24
    n-pentane 19.66
    1-propoxy-2-propanol 210.62
    1-methoxy-2-propyl acetate 340.99
    2-(2-methoxypropoxy) propanol 202.71
    mesitylene 152.37
    ε-caprolactone 871.0
    p-cymene 122.18
    epichlorohydrin 1410.08
    1,1,1-trichloroethane 801.37
    2-aminoethanol 128.27
    morpholine-4-carbaldehyde 917.31
    sulfolane 1085.66
    2,2,4-trimethylpentane 21.99
    2-methyltetrahydrofuran 855.79
    n-hexyl acetate 320.42
    isooctane 11.22
    2-(2-butoxyethoxy)ethanol 263.56
    sec-butyl acetate 241.91
    tert-butyl acetate 356.2
    decalin 36.45
    glycerin 96.53
    diglyme 571.78
    acrylic acid 407.17
    isopropyl myristate 102.44
    n-butyric acid 546.3
    acetyl acetate 442.66
    di(2-ethylhexyl) phthalate 121.23
    ethyl propionate 323.11
    nitromethane 1363.44
    1,2-diethoxyethane 275.12
    benzonitrile 570.38
    trioctyl phosphate 78.37
    1-bromopropane 405.36
    gamma-valerolactone 1385.17
    n-decanol 74.12
    triethyl phosphate 125.94
    4-methyl-2-pentanol 111.58
    propionitrile 473.46
    vinylene carbonate 706.82
    1,1,2-trichlorotrifluoroethane 666.47
    DMS 313.4
    cumene 141.04
    2-octanol 85.36
    2-hexanone 359.29
    octyl acetate 146.6
    limonene 159.22
    1,2-dimethoxyethane 652.38
    ethyl orthosilicate 118.18
    tributyl phosphate 101.62
    diacetone alcohol 353.55
    N,N-dimethylaniline 274.97
    acrylonitrile 689.4
    aniline 610.07
    1,3-propanediol 241.05
    bromobenzene 756.85
    dibromomethane 921.01
    1,1,2,2-tetrachloroethane 1439.55
    2-methyl-cyclohexyl acetate 232.74
    tetrabutyl urea 133.89
    diisobutyl methanol 82.64
    2-phenylethanol 337.77
    styrene 344.46
    dioctyl adipate 160.93
    dimethyl sulfate 365.67
    ethyl butyrate 280.92
    methyl lactate 195.72
    butyl lactate 157.33
    diethyl carbonate 216.91
    propanediol butyl ether 164.14
    triethyl orthoformate 167.47
    p-tert-butyltoluene 106.66
    methyl 4-tert-butylbenzoate 258.05
    morpholine 822.63
    tert-butylamine 193.09
    n-dodecanol 56.21
    dimethoxymethane 579.02
    ethylene carbonate 571.93
    cyrene 259.4
    2-ethoxyethyl acetate 347.77
    2-ethylhexyl acetate 333.83
    1,2,4-trichlorobenzene 635.83
    4-methylpyridine 1475.45
    dibutyl ether 124.72
    2,6-dimethyl-4-heptanol 82.64
    DEF 730.05
    dimethyl isosorbide 370.56
    tetrachloroethylene 929.21
    eugenol 238.74
    triacetin 255.1
    span 80 162.73
    1,4-butanediol 102.02
    1,1-dichloroethane 899.48
    2-methyl-1-pentanol 258.24
    methyl formate 585.96
    2-methyl-1-butanol 302.15
    n-decane 15.08
    butyronitrile 470.21
    3,7-dimethyl-1-octanol 117.51
    1-chlorooctane 83.18
    1-chlorotetradecane 36.21
    n-nonane 12.89
    undecane 12.24
    tert-butylcyclohexane 27.79
    cyclooctane 16.63
    cyclopentanol 357.27
    tetrahydropyran 713.39
    tert-amyl methyl ether 346.47
    2,5,8-trioxanonane 348.72
    1-hexene 94.29
    2-isopropoxyethanol 239.99
    2,2,2-trifluoroethanol 247.93
    methyl butyrate 494.7

    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