Ethyl levulinate propyleneglycol ketal

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  • Identifiers

    CAS number
    5413-49-0

    Molecular formula
    C10H18O4

    SMILES
    CCOC(=O)CCC1(OCC(O1)C)C

  • Odor profile

    Fragrance
    Fruity 68.79%
    Sweet 46.76%
    Buttery 42.2%
    Fatty 41.38%
    Caramellic 39.96%
    Oily 38.55%
    Creamy 32.0%
    Winey 30.74%
    Tropical 30.17%
    Nutty 29.93%

     

    Flavor
    Fruity 78.33%
    Green 54.32%
    Pineapple 51.33%
    Sweet 50.37%
    Fruit 45.49%
    Tropical 40.1%
    Earthy 31.09%
    Apple 30.65%
    Vegetable 29.95%
    Berry 28.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.93 (neutral)

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 99.66 ˚C est.

  • Synonyms

    • 5413-49-0
    • 1,3-Dioxolane-2-propanoic acid, 2,4-dimethyl-, ethyl ester
    • Ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate
    • Ethyl levulinate propyleneglycol ketal
    • TTE06DHT5Y
    • NSC-6563
    • FEMA NO. 4479
    • 1,3-Dioxolane-2-propionic acid, 2,4-dimethyl-, ethyl ester
    • DTXSID30863529
    • ETHYL PG-ACETAL LEVULINATE
    • NSC 6563
    • 2,4-Dimethyl-1,3-dioxolane-2-propionic acid ethyl ester
    • ETHYL LEVULINATE PROPYLENE GLYCOL KETAL
    • UNII-TTE06DHT5Y
    • NSC6563
    • SCHEMBL10154913
    • DTXCID40812129
    • Ethyl 4-oxopentanoate 1,2-propyleneketal
    • ETHYL PG-ACETAL LEVULINATE [INCI]
    • NS00122148
    • Q27290319
    • Ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate #
    • 700-636-5

  • Applications

    Ethyl levulinate propyleneglycol ketal (CAS 5413-49-0) is used as a fragrance ingredient and fixative in perfumery and related scent formulations; it also acts as a solvent or scent carrier in coatings, varnishes, inks, and certain plastic formulations; it can function as a plasticizer or processing aid to improve polymer flexibility and workability; it serves as an intermediate for the synthesis of other aroma compounds; it is employed as a solvent or aroma carrier in cosmetics and personal care products; and it may be present in cleaning formulations as a solvent or fragrance vehicle.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 744.96
    methanol 1141.29
    isopropanol 486.49
    water 40.21
    ethyl acetate 803.02
    n-propanol 477.42
    acetone 1217.86
    n-butanol 397.69
    acetonitrile 1137.77
    DMF 2414.01
    toluene 298.64
    isobutanol 369.19
    1,4-dioxane 1100.52
    methyl acetate 935.09
    THF 1235.91
    2-butanone 779.6
    n-pentanol 259.07
    sec-butanol 417.33
    n-hexane 29.91
    ethylene glycol 305.5
    NMP 2329.09
    cyclohexane 36.72
    DMSO 2480.07
    n-butyl acetate 316.91
    n-octanol 104.44
    chloroform 2551.52
    n-propyl acetate 387.71
    acetic acid 2122.44
    dichloromethane 2578.27
    cyclohexanone 893.91
    propylene glycol 287.37
    isopropyl acetate 483.64
    DMAc 2920.31
    2-ethoxyethanol 836.32
    isopentanol 370.45
    n-heptane 11.11
    ethyl formate 679.29
    1,2-dichloroethane 1267.48
    n-hexanol 150.87
    2-methoxyethanol 1411.83
    isobutyl acetate 245.6
    tetrachloromethane 269.24
    n-pentyl acetate 179.58
    transcutol 1693.45
    n-heptanol 71.85
    ethylbenzene 179.06
    MIBK 326.41
    2-propoxyethanol 564.54
    tert-butanol 558.85
    MTBE 559.99
    2-butoxyethanol 265.51
    propionic acid 862.02
    o-xylene 238.08
    formic acid 1548.82
    diethyl ether 469.95
    m-xylene 203.77
    p-xylene 262.85
    chlorobenzene 601.33
    dimethyl carbonate 545.6
    n-octane 5.64
    formamide 2086.91
    cyclopentanone 1124.68
    2-pentanone 528.33
    anisole 614.36
    cyclopentyl methyl ether 565.33
    gamma-butyrolactone 1818.88
    1-methoxy-2-propanol 823.39
    pyridine 1070.65
    3-pentanone 467.42
    furfural 2115.4
    n-dodecane 7.2
    diethylene glycol 564.2
    diisopropyl ether 133.5
    tert-amyl alcohol 525.74
    acetylacetone 987.07
    n-hexadecane 8.31
    acetophenone 660.7
    methyl propionate 696.12
    isopentyl acetate 313.6
    trichloroethylene 2694.45
    n-nonanol 95.96
    cyclohexanol 351.18
    benzyl alcohol 496.73
    2-ethylhexanol 104.15
    isooctanol 68.21
    dipropyl ether 121.69
    1,2-dichlorobenzene 684.75
    ethyl lactate 250.0
    propylene carbonate 1013.02
    n-methylformamide 1507.72
    2-pentanol 238.05
    n-pentane 25.92
    1-propoxy-2-propanol 285.36
    1-methoxy-2-propyl acetate 506.02
    2-(2-methoxypropoxy) propanol 418.6
    mesitylene 112.8
    ε-caprolactone 1012.34
    p-cymene 82.98
    epichlorohydrin 1977.01
    1,1,1-trichloroethane 1042.17
    2-aminoethanol 519.96
    morpholine-4-carbaldehyde 2256.58
    sulfolane 1986.4
    2,2,4-trimethylpentane 26.51
    2-methyltetrahydrofuran 892.34
    n-hexyl acetate 312.72
    isooctane 13.46
    2-(2-butoxyethoxy)ethanol 462.05
    sec-butyl acetate 299.8
    tert-butyl acetate 468.58
    decalin 38.66
    glycerin 572.63
    diglyme 1035.01
    acrylic acid 959.65
    isopropyl myristate 116.14
    n-butyric acid 881.81
    acetyl acetate 871.28
    di(2-ethylhexyl) phthalate 154.24
    ethyl propionate 417.07
    nitromethane 4022.26
    1,2-diethoxyethane 385.0
    benzonitrile 623.12
    trioctyl phosphate 81.66
    1-bromopropane 469.87
    gamma-valerolactone 2118.23
    n-decanol 65.59
    triethyl phosphate 195.21
    4-methyl-2-pentanol 152.67
    propionitrile 583.75
    vinylene carbonate 1102.4
    1,1,2-trichlorotrifluoroethane 1689.77
    DMS 524.82
    cumene 132.76
    2-octanol 57.34
    2-hexanone 320.58
    octyl acetate 147.27
    limonene 115.63
    1,2-dimethoxyethane 1199.16
    ethyl orthosilicate 169.31
    tributyl phosphate 143.47
    diacetone alcohol 470.18
    N,N-dimethylaniline 414.0
    acrylonitrile 930.53
    aniline 526.48
    1,3-propanediol 623.74
    bromobenzene 583.29
    dibromomethane 1273.43
    1,1,2,2-tetrachloroethane 1888.41
    2-methyl-cyclohexyl acetate 243.97
    tetrabutyl urea 181.63
    diisobutyl methanol 67.78
    2-phenylethanol 287.41
    styrene 259.43
    dioctyl adipate 222.47
    dimethyl sulfate 1145.25
    ethyl butyrate 262.34
    methyl lactate 450.19
    butyl lactate 182.98
    diethyl carbonate 250.88
    propanediol butyl ether 279.59
    triethyl orthoformate 208.37
    p-tert-butyltoluene 80.44
    methyl 4-tert-butylbenzoate 344.85
    morpholine 1375.5
    tert-butylamine 338.94
    n-dodecanol 48.65
    dimethoxymethane 991.52
    ethylene carbonate 843.12
    cyrene 457.92
    2-ethoxyethyl acetate 382.09
    2-ethylhexyl acetate 257.68
    1,2,4-trichlorobenzene 853.91
    4-methylpyridine 1172.91
    dibutyl ether 130.91
    2,6-dimethyl-4-heptanol 67.78
    DEF 938.75
    dimethyl isosorbide 651.56
    tetrachloroethylene 1087.54
    eugenol 332.53
    triacetin 533.67
    span 80 262.46
    1,4-butanediol 243.41
    1,1-dichloroethane 1076.75
    2-methyl-1-pentanol 268.54
    methyl formate 1131.44
    2-methyl-1-butanol 371.54
    n-decane 11.94
    butyronitrile 495.2
    3,7-dimethyl-1-octanol 130.93
    1-chlorooctane 67.84
    1-chlorotetradecane 28.89
    n-nonane 10.16
    undecane 8.8
    tert-butylcyclohexane 31.76
    cyclooctane 13.4
    cyclopentanol 408.68
    tetrahydropyran 642.02
    tert-amyl methyl ether 428.76
    2,5,8-trioxanonane 719.03
    1-hexene 112.93
    2-isopropoxyethanol 457.61
    2,2,2-trifluoroethanol 1025.91
    methyl butyrate 542.52

    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