Glyceryl 1-(3-oxohexadecanoate)

  • Identifiers

    Molecular formula
    C19H36O5

    SMILES
    CCCCCCCCCCCCCC(=O)CC(=O)OCC(CO)O

  • Odor profile

    Fragrance
    Fatty 63.21%
    Waxy 49.18%
    Oily 37.3%
    Odorless 36.85%
    Buttery 32.78%
    Milky 29.35%
    Creamy 28.76%
    Lactonic 28.0%
    Peach 27.57%
    Dairy 26.34%

     

    Flavor
    Waxy 45.96%
    Fatty 42.47%
    Oily 37.76%
    Mild 36.04%
    Odorless 34.1%
    Bland 32.16%
    Soapy 27.15%
    Creamy 27.09%
    Fruity 25.54%
    Faint 23.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.08 (neutral)

    Molecular weight
    344.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    506°C

    Flash point

    • 205.76 ˚C est.

  • Synonyms

    • glyceryl 1-(3-oxohexadecanoate)
    • 3Z73EHQ311
    • FEMA NO. 3769, 1-
    • NS00124209
    • 2,3-DIHYDROXYPROPYL 3-OXOHEXADECANOATE
    • (+/-)-GLYCERYL 1-(3-OXOHEXADECANOATE)
    • Q27258247
  • Applications

    Glyceryl 1-(3-oxohexadecanoate) is an ester of glycerol with 3-oxohexadecanoic acid; practical applications include use as an emollient and softening agent in cosmetics and personal care, functioning as a surfactant or emulsifier in cleaning and household formulations, serving as an intermediate or building block for the synthesis of specialty esters used in polymers and coatings, acting as a plasticizer or processing aid in plastics and polymer systems, and potentially being evaluated as a lipophilic pharmaceutical excipient depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.6
    methanol 50.22
    isopropanol 20.42
    water 0.1
    ethyl acetate 31.86
    n-propanol 21.91
    acetone 74.16
    n-butanol 19.94
    acetonitrile 17.96
    DMF 194.39
    toluene 12.62
    isobutanol 20.96
    1,4-dioxane 58.38
    methyl acetate 33.98
    THF 230.71
    2-butanone 55.62
    n-pentanol 22.86
    sec-butanol 21.55
    n-hexane 1.24
    ethylene glycol 6.29
    NMP 325.04
    cyclohexane 4.69
    DMSO 606.43
    n-butyl acetate 37.61
    n-octanol 18.46
    chloroform 92.71
    n-propyl acetate 55.2
    acetic acid 75.57
    dichloromethane 100.87
    cyclohexanone 187.49
    propylene glycol 18.46
    isopropyl acetate 37.78
    DMAc 340.92
    2-ethoxyethanol 82.03
    isopentanol 29.37
    n-heptane 1.27
    ethyl formate 30.1
    1,2-dichloroethane 89.12
    n-hexanol 15.43
    2-methoxyethanol 95.27
    isobutyl acetate 37.92
    tetrachloromethane 16.05
    n-pentyl acetate 54.76
    transcutol 354.1
    n-heptanol 17.41
    ethylbenzene 12.58
    MIBK 54.41
    2-propoxyethanol 63.33
    tert-butanol 52.83
    MTBE 31.68
    2-butoxyethanol 69.17
    propionic acid 43.98
    o-xylene 17.5
    formic acid 30.58
    diethyl ether 12.83
    m-xylene 13.66
    p-xylene 19.0
    chlorobenzene 25.87
    dimethyl carbonate 23.44
    n-octane 1.03
    formamide 54.98
    cyclopentanone 230.93
    2-pentanone 52.74
    anisole 35.86
    cyclopentyl methyl ether 71.23
    gamma-butyrolactone 209.38
    1-methoxy-2-propanol 92.63
    pyridine 56.59
    3-pentanone 41.23
    furfural 157.23
    n-dodecane 0.97
    diethylene glycol 48.0
    diisopropyl ether 8.47
    tert-amyl alcohol 44.33
    acetylacetone 108.59
    n-hexadecane 1.13
    acetophenone 65.32
    methyl propionate 38.55
    isopentyl acetate 45.94
    trichloroethylene 152.46
    n-nonanol 18.92
    cyclohexanol 45.95
    benzyl alcohol 38.39
    2-ethylhexanol 15.62
    isooctanol 19.15
    dipropyl ether 17.06
    1,2-dichlorobenzene 37.36
    ethyl lactate 43.08
    propylene carbonate 105.0
    n-methylformamide 57.26
    2-pentanol 14.92
    n-pentane 0.71
    1-propoxy-2-propanol 56.12
    1-methoxy-2-propyl acetate 62.29
    2-(2-methoxypropoxy) propanol 82.06
    mesitylene 11.88
    ε-caprolactone 150.63
    p-cymene 10.91
    epichlorohydrin 173.74
    1,1,1-trichloroethane 73.37
    2-aminoethanol 20.06
    morpholine-4-carbaldehyde 191.21
    sulfolane 506.03
    2,2,4-trimethylpentane 1.93
    2-methyltetrahydrofuran 92.76
    n-hexyl acetate 59.83
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 105.56
    sec-butyl acetate 38.69
    tert-butyl acetate 69.34
    decalin 4.27
    glycerin 43.0
    diglyme 231.8
    acrylic acid 40.25
    isopropyl myristate 20.21
    n-butyric acid 71.47
    acetyl acetate 35.97
    di(2-ethylhexyl) phthalate 27.88
    ethyl propionate 40.86
    nitromethane 142.2
    1,2-diethoxyethane 56.18
    benzonitrile 37.26
    trioctyl phosphate 19.7
    1-bromopropane 24.9
    gamma-valerolactone 295.35
    n-decanol 12.29
    triethyl phosphate 32.51
    4-methyl-2-pentanol 15.6
    propionitrile 17.54
    vinylene carbonate 76.35
    1,1,2-trichlorotrifluoroethane 200.14
    DMS 44.76
    cumene 12.05
    2-octanol 13.5
    2-hexanone 56.4
    octyl acetate 26.52
    limonene 17.59
    1,2-dimethoxyethane 142.29
    ethyl orthosilicate 31.25
    tributyl phosphate 27.12
    diacetone alcohol 117.91
    N,N-dimethylaniline 33.2
    acrylonitrile 26.1
    aniline 23.85
    1,3-propanediol 33.59
    bromobenzene 25.41
    dibromomethane 55.72
    1,1,2,2-tetrachloroethane 166.3
    2-methyl-cyclohexyl acetate 48.87
    tetrabutyl urea 43.41
    diisobutyl methanol 12.82
    2-phenylethanol 29.92
    styrene 14.31
    dioctyl adipate 47.85
    dimethyl sulfate 85.4
    ethyl butyrate 38.6
    methyl lactate 47.85
    butyl lactate 63.94
    diethyl carbonate 26.14
    propanediol butyl ether 74.08
    triethyl orthoformate 37.21
    p-tert-butyltoluene 11.07
    methyl 4-tert-butylbenzoate 76.99
    morpholine 98.34
    tert-butylamine 21.23
    n-dodecanol 8.56
    dimethoxymethane 67.28
    ethylene carbonate 63.74
    cyrene 104.88
    2-ethoxyethyl acetate 79.19
    2-ethylhexyl acetate 34.54
    1,2,4-trichlorobenzene 52.44
    4-methylpyridine 53.19
    dibutyl ether 24.66
    2,6-dimethyl-4-heptanol 12.82
    DEF 90.54
    dimethyl isosorbide 158.9
    tetrachloroethylene 96.21
    eugenol 72.49
    triacetin 99.38
    span 80 68.02
    1,4-butanediol 17.17
    1,1-dichloroethane 51.08
    2-methyl-1-pentanol 29.45
    methyl formate 39.91
    2-methyl-1-butanol 25.86
    n-decane 1.89
    butyronitrile 20.29
    3,7-dimethyl-1-octanol 21.43
    1-chlorooctane 12.57
    1-chlorotetradecane 4.14
    n-nonane 1.59
    undecane 1.28
    tert-butylcyclohexane 3.19
    cyclooctane 1.5
    cyclopentanol 56.28
    tetrahydropyran 65.52
    tert-amyl methyl ether 32.32
    2,5,8-trioxanonane 148.51
    1-hexene 6.0
    2-isopropoxyethanol 59.53
    2,2,2-trifluoroethanol 38.52
    methyl butyrate 72.86

    Scent© AI

1 of 4
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