Lauryl acetoacetate

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  • Identifiers

    CAS number
    52406-22-1

    Molecular formula
    C16H30O3

    SMILES
    CCCCCCCCCCCCOC(=O)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 65.19%
    Fruity 64.72%
    Waxy 60.18%
    Oily 53.57%
    Floral 51.09%
    Sweet 41.07%
    Winey 39.42%
    Creamy 38.61%
    Rose 34.22%
    Dairy 34.08%

     

    Flavor
    Waxy 65.5%
    Fruity 55.1%
    Fatty 47.5%
    Oily 46.15%
    Soapy 44.35%
    Sweet 44.12%
    Floral 42.65%
    Green 42.6%
    Creamy 38.53%
    Coconut 36.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.22 (neutral)

    Molecular weight
    270.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    335°C

    Flash point

    • 145.61 ˚C est.

  • Synonyms

    • Dodecyl acetoacetate
    • dodecyl 3-oxobutanoate
    • 52406-22-1
    • lauryl acetoacetate
    • Butanoic acid, 3-oxo-, dodecyl ester
    • n-dodecyl acetoacetate
    • 1BOB20B851
    • EINECS 257-896-3
    • AI3-02541
    • DTXSID20966831
    • DODECYL ALCOHOL, ACETOACETATE
    • ACETOACETIC ACID, DODECYL ESTER
    • RefChem:798585
    • DTXCID701394449
    • 257-896-3
    • acetoacetic acid dodecyl ester
    • MFCD00071545
    • UNII-1BOB20B851
    • dodecyl3-oxobutanoate
    • SCHEMBL649821
    • SBB060046
    • AKOS024390800
    • NS00054166
    • ST51046301
    • G65988
    • Q21547110
    • 52406-22-1

  • Applications

    Lauryl acetoacetate is mainly used as an intermediate in organic synthesis and as a specialty ester for formulation work across several industries. In perfume and fragrance, the beta-keto ester can act as an odorant and fixative to extend fragrance longevity. In cosmetics and personal care, it is used as a formulation aid derived from the lauryl chain, providing lipophilic character for solubilization, and helping to stabilize emulsions and soften the skin. In industrial manufacturing, it serves as a building block for the synthesis of beta-keto compounds, for specialty polymers and coatings, and as a solvent or carrier for actives in cleaning and coating formulations. It may also function as a surfactant precursor or co-monomer in polymer and adhesive applications, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 513.24
    methanol 522.33
    isopropanol 644.27
    water 0.05
    ethyl acetate 864.46
    n-propanol 511.23
    acetone 1563.32
    n-butanol 497.21
    acetonitrile 541.31
    DMF 1611.24
    toluene 355.96
    isobutanol 515.8
    1,4-dioxane 1044.89
    methyl acetate 650.13
    THF 2667.24
    2-butanone 1114.45
    n-pentanol 368.97
    sec-butanol 559.24
    n-hexane 129.7
    ethylene glycol 44.08
    NMP 1898.67
    cyclohexane 331.84
    DMSO 2271.69
    n-butyl acetate 696.78
    n-octanol 181.53
    chloroform 2313.32
    n-propyl acetate 796.79
    acetic acid 518.37
    dichloromethane 2140.28
    cyclohexanone 2406.01
    propylene glycol 154.42
    isopropyl acetate 713.77
    DMAc 1563.01
    2-ethoxyethanol 530.91
    isopentanol 579.61
    n-heptane 54.46
    ethyl formate 453.04
    1,2-dichloroethane 1637.21
    n-hexanol 315.49
    2-methoxyethanol 816.76
    isobutyl acetate 539.24
    tetrachloromethane 374.97
    n-pentyl acetate 572.56
    transcutol 1884.31
    n-heptanol 155.38
    ethylbenzene 236.51
    MIBK 767.8
    2-propoxyethanol 562.98
    tert-butanol 964.16
    MTBE 868.78
    2-butoxyethanol 380.85
    propionic acid 491.32
    o-xylene 276.31
    formic acid 100.86
    diethyl ether 704.79
    m-xylene 282.27
    p-xylene 341.67
    chlorobenzene 612.06
    dimethyl carbonate 193.65
    n-octane 22.69
    formamide 207.72
    cyclopentanone 2416.67
    2-pentanone 1055.82
    anisole 460.06
    cyclopentyl methyl ether 1288.58
    gamma-butyrolactone 2061.08
    1-methoxy-2-propanol 807.23
    pyridine 1018.98
    3-pentanone 722.54
    furfural 1261.26
    n-dodecane 16.25
    diethylene glycol 300.72
    diisopropyl ether 250.8
    tert-amyl alcohol 743.9
    acetylacetone 1155.0
    n-hexadecane 20.21
    acetophenone 515.77
    methyl propionate 620.77
    isopentyl acetate 690.78
    trichloroethylene 2509.86
    n-nonanol 166.33
    cyclohexanol 891.1
    benzyl alcohol 355.32
    2-ethylhexanol 257.42
    isooctanol 169.87
    dipropyl ether 417.11
    1,2-dichlorobenzene 627.03
    ethyl lactate 282.36
    propylene carbonate 1053.0
    n-methylformamide 538.09
    2-pentanol 418.14
    n-pentane 73.0
    1-propoxy-2-propanol 512.74
    1-methoxy-2-propyl acetate 618.78
    2-(2-methoxypropoxy) propanol 429.03
    mesitylene 210.13
    ε-caprolactone 1590.75
    p-cymene 139.56
    epichlorohydrin 2073.15
    1,1,1-trichloroethane 1676.31
    2-aminoethanol 184.19
    morpholine-4-carbaldehyde 1254.85
    sulfolane 2774.39
    2,2,4-trimethylpentane 48.81
    2-methyltetrahydrofuran 1897.96
    n-hexyl acetate 698.64
    isooctane 33.71
    2-(2-butoxyethoxy)ethanol 560.64
    sec-butyl acetate 560.08
    tert-butyl acetate 878.73
    decalin 115.17
    glycerin 201.08
    diglyme 1126.02
    acrylic acid 311.86
    isopropyl myristate 226.13
    n-butyric acid 996.64
    acetyl acetate 500.27
    di(2-ethylhexyl) phthalate 201.81
    ethyl propionate 641.8
    nitromethane 1163.11
    1,2-diethoxyethane 643.75
    benzonitrile 513.78
    trioctyl phosphate 148.58
    1-bromopropane 946.15
    gamma-valerolactone 2400.96
    n-decanol 111.3
    triethyl phosphate 255.87
    4-methyl-2-pentanol 268.63
    propionitrile 505.52
    vinylene carbonate 753.0
    1,1,2-trichlorotrifluoroethane 1224.52
    DMS 431.58
    cumene 166.98
    2-octanol 143.09
    2-hexanone 840.3
    octyl acetate 273.93
    limonene 286.06
    1,2-dimethoxyethane 1250.53
    ethyl orthosilicate 240.85
    tributyl phosphate 214.86
    diacetone alcohol 854.97
    N,N-dimethylaniline 328.64
    acrylonitrile 528.04
    aniline 425.18
    1,3-propanediol 347.57
    bromobenzene 690.05
    dibromomethane 1508.6
    1,1,2,2-tetrachloroethane 2532.59
    2-methyl-cyclohexyl acetate 481.96
    tetrabutyl urea 302.29
    diisobutyl methanol 164.58
    2-phenylethanol 301.31
    styrene 297.33
    dioctyl adipate 385.57
    dimethyl sulfate 466.68
    ethyl butyrate 542.8
    methyl lactate 290.07
    butyl lactate 419.63
    diethyl carbonate 315.37
    propanediol butyl ether 389.24
    triethyl orthoformate 380.19
    p-tert-butyltoluene 137.27
    methyl 4-tert-butylbenzoate 461.49
    morpholine 1584.97
    tert-butylamine 570.79
    n-dodecanol 83.56
    dimethoxymethane 684.78
    ethylene carbonate 700.56
    cyrene 472.44
    2-ethoxyethyl acetate 607.57
    2-ethylhexyl acetate 534.11
    1,2,4-trichlorobenzene 743.49
    4-methylpyridine 1040.47
    dibutyl ether 447.94
    2,6-dimethyl-4-heptanol 164.58
    DEF 1138.09
    dimethyl isosorbide 852.4
    tetrachloroethylene 1439.35
    eugenol 373.28
    triacetin 647.85
    span 80 423.19
    1,4-butanediol 133.61
    1,1-dichloroethane 1656.94
    2-methyl-1-pentanol 379.55
    methyl formate 347.81
    2-methyl-1-butanol 497.52
    n-decane 33.89
    butyronitrile 647.84
    3,7-dimethyl-1-octanol 220.57
    1-chlorooctane 206.38
    1-chlorotetradecane 65.9
    n-nonane 33.07
    undecane 22.0
    tert-butylcyclohexane 84.45
    cyclooctane 63.79
    cyclopentanol 1011.48
    tetrahydropyran 1805.2
    tert-amyl methyl ether 629.05
    2,5,8-trioxanonane 730.35
    1-hexene 408.07
    2-isopropoxyethanol 444.0
    2,2,2-trifluoroethanol 193.73
    methyl butyrate 966.8

    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