Butyl levulinate

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  • Identifiers

    CAS number
    2052-15-5

    Molecular formula
    C9H16O3

    SMILES
    CCCCOC(=O)CCC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 94.45%
    Caramellic 74.25%
    Sweet 66.05%
    Winey 56.63%
    Oily 45.25%
    Herbal 44.8%
    Fatty 42.53%
    Buttery 42.32%
    Green 42.25%
    Apple 40.27%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.32 (weak base)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 106.00 to 108.00 °C. @ 5.50 mm Hg

    Flash point est.
    95.16 ˚C

    Solubility expt.

    • slightly soluble in water; soluble in oil and alcohol

  • Synonyms

    • Butyl levulinate
    • Butyl 4-oxopentanoate
    • 2052-15-5
    • n-Butyl levulinate
    • Pentanoic acid, 4-oxo-, butyl ester
    • Butyl laevulinate
    • n-Butyl laevulinate
    • LEVULINIC ACID, BUTYL ESTER
    • Butyl 4-ketovalerate
    • Butyl acetylpropionate
    • 4-Ketopentanoic acid butyl ester
    • n-Butyl 4-oxopentanoate
    • FEMA No. 2207
    • NSC 78451
    • EINECS 218-143-4
    • UNII-OI56208RTB
    • Levulinic acid n-butyl ester
    • BRN 1768453
    • OI56208RTB
    • DTXSID3038800
    • 4-oxo-pentanoic acid butyl ester
    • AI3-00518
    • NSC-78451
    • BUTYL LEVULINATE [FHFI]
    • DTXCID1018800
    • EC 218-143-4
    • 4-03-00-01563 (Beilstein Handbook Reference)
    • Butyl4-oxopentanoate
    • Levulinic Acid Butyl Ester
    • Butyl 4-Oxovalerate
    • n-butyl-4-ketovalerate
    • Butyl levulinate, 98%
    • Butyl levulinate, >=97%
    • SCHEMBL118152
    • 4-Oxovaleric Acid Butyl Ester
    • n-Butyl levulinate; 4-Oxo-pentanoic acid butyl ester
    • CHEMBL3188634
    • FEMA 2207
    • CHEBI:171935
    • CAA05215
    • NSC78451
    • Tox21_301714
    • MFCD00009449
    • AKOS009166419
    • NCGC00255405-01
    • AS-62130
    • CAS-2052-15-5
    • L0138
    • NS00009432
    • D78070
    • Q27285665
    • 218-143-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1982.92
    methanol 3251.82
    isopropanol 1421.94
    water 9.35
    ethyl acetate 553.88
    n-propanol 999.61
    acetone 1020.73
    n-butanol 884.44
    acetonitrile 1034.42
    DMF 1536.07
    toluene 200.03
    isobutanol 711.07
    1,4-dioxane 1291.76
    methyl acetate 636.66
    THF 1127.86
    2-butanone 616.41
    n-pentanol 620.84
    sec-butanol 876.25
    n-hexane 37.33
    ethylene glycol 352.57
    NMP 884.58
    cyclohexane 46.71
    DMSO 1467.37
    n-butyl acetate 401.94
    n-octanol 186.22
    chloroform 1367.26
    n-propyl acetate 350.0
    acetic acid 1666.27
    dichloromethane 1130.6
    cyclohexanone 761.55
    propylene glycol 457.31
    isopropyl acetate 350.68
    DMAc 1432.27
    2-ethoxyethanol 967.73
    isopentanol 719.3
    n-heptane 13.66
    ethyl formate 569.06
    1,2-dichloroethane 612.11
    n-hexanol 394.26
    2-methoxyethanol 1592.51
    isobutyl acetate 247.84
    tetrachloromethane 119.66
    n-pentyl acetate 210.5
    transcutol 1849.99
    n-heptanol 148.53
    ethylbenzene 154.58
    MIBK 281.15
    2-propoxyethanol 663.27
    tert-butanol 1381.12
    MTBE 607.1
    2-butoxyethanol 360.9
    propionic acid 716.9
    o-xylene 155.58
    formic acid 729.46
    diethyl ether 447.9
    m-xylene 141.44
    p-xylene 229.08
    chlorobenzene 313.97
    dimethyl carbonate 143.84
    n-octane 8.79
    formamide 855.42
    cyclopentanone 736.29
    2-pentanone 436.55
    anisole 396.78
    cyclopentyl methyl ether 393.89
    gamma-butyrolactone 859.19
    1-methoxy-2-propanol 900.48
    pyridine 859.82
    3-pentanone 251.0
    furfural 918.92
    n-dodecane 10.97
    diethylene glycol 609.72
    diisopropyl ether 96.72
    tert-amyl alcohol 928.29
    acetylacetone 535.1
    n-hexadecane 12.14
    acetophenone 367.5
    methyl propionate 328.79
    isopentyl acetate 377.26
    trichloroethylene 1162.7
    n-nonanol 154.87
    cyclohexanol 579.74
    benzyl alcohol 437.35
    2-ethylhexanol 208.81
    isooctanol 125.94
    dipropyl ether 139.75
    1,2-dichlorobenzene 281.54
    ethyl lactate 185.03
    propylene carbonate 481.99
    n-methylformamide 839.3
    2-pentanol 480.02
    n-pentane 28.42
    1-propoxy-2-propanol 399.31
    1-methoxy-2-propyl acetate 344.87
    2-(2-methoxypropoxy) propanol 400.6
    mesitylene 81.1
    ε-caprolactone 741.58
    p-cymene 76.68
    epichlorohydrin 910.39
    1,1,1-trichloroethane 512.44
    2-aminoethanol 750.81
    morpholine-4-carbaldehyde 1121.06
    sulfolane 842.83
    2,2,4-trimethylpentane 23.53
    2-methyltetrahydrofuran 796.06
    n-hexyl acetate 341.23
    isooctane 14.06
    2-(2-butoxyethoxy)ethanol 562.4
    sec-butyl acetate 251.61
    tert-butyl acetate 355.46
    decalin 37.32
    glycerin 526.47
    diglyme 962.84
    acrylic acid 572.8
    isopropyl myristate 113.12
    n-butyric acid 982.88
    acetyl acetate 362.6
    di(2-ethylhexyl) phthalate 141.54
    ethyl propionate 260.74
    nitromethane 1681.67
    1,2-diethoxyethane 458.17
    benzonitrile 508.6
    trioctyl phosphate 88.72
    1-bromopropane 350.22
    gamma-valerolactone 1212.63
    n-decanol 108.36
    triethyl phosphate 121.01
    4-methyl-2-pentanol 237.99
    propionitrile 581.86
    vinylene carbonate 492.39
    1,1,2-trichlorotrifluoroethane 829.43
    DMS 253.25
    cumene 106.21
    2-octanol 113.72
    2-hexanone 369.36
    octyl acetate 151.02
    limonene 111.18
    1,2-dimethoxyethane 1311.48
    ethyl orthosilicate 119.87
    tributyl phosphate 133.17
    diacetone alcohol 486.01
    N,N-dimethylaniline 272.93
    acrylonitrile 729.8
    aniline 415.68
    1,3-propanediol 1006.44
    bromobenzene 298.7
    dibromomethane 709.74
    1,1,2,2-tetrachloroethane 1012.35
    2-methyl-cyclohexyl acetate 212.06
    tetrabutyl urea 162.46
    diisobutyl methanol 108.0
    2-phenylethanol 305.88
    styrene 221.78
    dioctyl adipate 199.63
    dimethyl sulfate 247.95
    ethyl butyrate 241.83
    methyl lactate 229.15
    butyl lactate 203.37
    diethyl carbonate 179.05
    propanediol butyl ether 403.76
    triethyl orthoformate 171.77
    p-tert-butyltoluene 72.76
    methyl 4-tert-butylbenzoate 246.43
    morpholine 1577.34
    tert-butylamine 685.49
    n-dodecanol 80.12
    dimethoxymethane 555.45
    ethylene carbonate 413.9
    cyrene 311.44
    2-ethoxyethyl acetate 320.94
    2-ethylhexyl acetate 268.94
    1,2,4-trichlorobenzene 352.91
    4-methylpyridine 888.47
    dibutyl ether 195.8
    2,6-dimethyl-4-heptanol 108.0
    DEF 621.95
    dimethyl isosorbide 478.83
    tetrachloroethylene 609.43
    eugenol 289.49
    triacetin 343.91
    span 80 326.49
    1,4-butanediol 430.64
    1,1-dichloroethane 684.41
    2-methyl-1-pentanol 542.56
    methyl formate 523.58
    2-methyl-1-butanol 640.0
    n-decane 17.56
    butyronitrile 673.69
    3,7-dimethyl-1-octanol 197.9
    1-chlorooctane 88.68
    1-chlorotetradecane 34.71
    n-nonane 15.79
    undecane 13.26
    tert-butylcyclohexane 35.02
    cyclooctane 10.87
    cyclopentanol 610.31
    tetrahydropyran 861.53
    tert-amyl methyl ether 397.69
    2,5,8-trioxanonane 660.8
    1-hexene 205.18
    2-isopropoxyethanol 570.74
    2,2,2-trifluoroethanol 413.48
    methyl butyrate 455.85

    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