Glyceryl 3-oxohexadecanoate

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  • Identifiers

    CAS number
    91052-71-0

    Molecular formula
    C19H38O6

    SMILES
    CCCCCCCCCCCCCC(=O)CC(=O)O.C(C(CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 76.66%
    Waxy 63.27%
    Dairy 37.79%
    Oily 37.11%
    Milky 35.82%
    Creamy 34.25%
    Odorless 27.56%
    Meaty 26.56%
    Savory 25.89%
    Citrus 25.77%

     

    Flavor
    Fatty 63.25%
    Waxy 50.43%
    Fat 36.77%
    Oily 35.96%
    Coconut 33.96%
    Mild 32.41%
    Creamy 31.46%
    Cheese 28.61%
    Soapy 27.49%
    Odorless 27.11%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.64 (neutral)

    Molecular weight
    362.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point

    • 181.92 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in oils

  • Synonyms

    • ZWG366SZGX
    • Glyceryl 3-oxohexadecanoate
    • FEMA No. 3769
    • 3-Oxohexadecanoic acid glyceride
    • EINECS 293-233-4
    • 91052-71-0
    • RefChem:663502
    • DTXSID801019830
    • 3-OXOHEXADECANOIC ACID GLYCERIDE [FHFI]
    • GLYCERIDES, PALM-OIL MONO-AND DI-, HYDROGENATED, 3-OXOHEXADECANOATES
    • 293-233-4
    • 977148-07-4
    • UNII-ZWG366SZGX
    • SCHEMBL28594625
    • 91052-71-0

  • Applications

    Glyceryl 3-oxohexadecanoate, CAS 91052-71-0 may serve as an emollient and emulsifier in cosmetics and personal care formulations; may act as a processing aid, plasticizer, or compatibility modifier in polymers and coatings; may function as a surfactant or co-emulsifier in cleaning and household products; may be used as an intermediate in organic synthesis for pharmaceutical and agrochemical manufacturing; and may be employed as a building block for specialty esters in chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.8
    methanol 152.24
    isopropanol 198.51
    water 0.02
    ethyl acetate 124.56
    n-propanol 153.75
    acetone 235.79
    n-butanol 149.17
    acetonitrile 55.79
    DMF 516.19
    toluene 60.02
    isobutanol 152.25
    1,4-dioxane 202.12
    methyl acetate 99.64
    THF 971.01
    2-butanone 204.44
    n-pentanol 131.16
    sec-butanol 145.21
    n-hexane 30.47
    ethylene glycol 16.57
    NMP 689.43
    cyclohexane 44.49
    DMSO 1001.85
    n-butyl acetate 201.65
    n-octanol 68.8
    chloroform 322.87
    n-propyl acetate 193.02
    acetic acid 107.25
    dichloromethane 302.94
    cyclohexanone 541.3
    propylene glycol 69.16
    isopropyl acetate 147.91
    DMAc 542.46
    2-ethoxyethanol 203.35
    isopentanol 185.94
    n-heptane 14.58
    ethyl formate 84.42
    1,2-dichloroethane 291.49
    n-hexanol 122.56
    2-methoxyethanol 279.63
    isobutyl acetate 160.82
    tetrachloromethane 61.74
    n-pentyl acetate 181.85
    transcutol 701.5
    n-heptanol 68.97
    ethylbenzene 56.97
    MIBK 226.54
    2-propoxyethanol 248.38
    tert-butanol 307.42
    MTBE 212.71
    2-butoxyethanol 176.36
    propionic acid 118.51
    o-xylene 62.9
    formic acid 27.81
    diethyl ether 123.79
    m-xylene 65.88
    p-xylene 79.54
    chlorobenzene 103.36
    dimethyl carbonate 46.39
    n-octane 7.09
    formamide 54.78
    cyclopentanone 700.5
    2-pentanone 229.38
    anisole 126.29
    cyclopentyl methyl ether 354.31
    gamma-butyrolactone 563.7
    1-methoxy-2-propanol 321.85
    pyridine 192.67
    3-pentanone 138.63
    furfural 337.95
    n-dodecane 5.04
    diethylene glycol 128.53
    diisopropyl ether 64.82
    tert-amyl alcohol 222.21
    acetylacetone 279.96
    n-hexadecane 6.07
    acetophenone 160.37
    methyl propionate 120.34
    isopentyl acetate 224.33
    trichloroethylene 433.8
    n-nonanol 67.67
    cyclohexanol 210.48
    benzyl alcohol 110.21
    2-ethylhexanol 93.7
    isooctanol 75.49
    dipropyl ether 128.76
    1,2-dichlorobenzene 128.49
    ethyl lactate 97.55
    propylene carbonate 273.01
    n-methylformamide 140.44
    2-pentanol 122.34
    n-pentane 15.01
    1-propoxy-2-propanol 226.81
    1-methoxy-2-propyl acetate 213.49
    2-(2-methoxypropoxy) propanol 192.39
    mesitylene 55.12
    ε-caprolactone 380.78
    p-cymene 44.24
    epichlorohydrin 529.22
    1,1,1-trichloroethane 271.83
    2-aminoethanol 74.37
    morpholine-4-carbaldehyde 420.13
    sulfolane 1081.64
    2,2,4-trimethylpentane 14.88
    2-methyltetrahydrofuran 487.68
    n-hexyl acetate 212.58
    isooctane 11.56
    2-(2-butoxyethoxy)ethanol 249.22
    sec-butyl acetate 151.66
    tert-butyl acetate 245.99
    decalin 28.38
    glycerin 95.55
    diglyme 457.16
    acrylic acid 76.29
    isopropyl myristate 78.06
    n-butyric acid 227.04
    acetyl acetate 83.99
    di(2-ethylhexyl) phthalate 80.21
    ethyl propionate 139.78
    nitromethane 195.45
    1,2-diethoxyethane 205.29
    benzonitrile 114.72
    trioctyl phosphate 59.78
    1-bromopropane 173.04
    gamma-valerolactone 654.62
    n-decanol 47.68
    triethyl phosphate 89.63
    4-methyl-2-pentanol 94.99
    propionitrile 74.67
    vinylene carbonate 172.09
    1,1,2-trichlorotrifluoroethane 363.94
    DMS 113.6
    cumene 50.47
    2-octanol 57.81
    2-hexanone 238.08
    octyl acetate 93.66
    limonene 82.17
    1,2-dimethoxyethane 375.28
    ethyl orthosilicate 87.7
    tributyl phosphate 81.75
    diacetone alcohol 329.54
    N,N-dimethylaniline 109.45
    acrylonitrile 82.32
    aniline 89.41
    1,3-propanediol 130.44
    bromobenzene 110.37
    dibromomethane 226.66
    1,1,2,2-tetrachloroethane 490.63
    2-methyl-cyclohexyl acetate 177.02
    tetrabutyl urea 123.12
    diisobutyl methanol 66.44
    2-phenylethanol 107.91
    styrene 63.91
    dioctyl adipate 137.53
    dimethyl sulfate 149.09
    ethyl butyrate 153.48
    methyl lactate 99.11
    butyl lactate 161.09
    diethyl carbonate 85.58
    propanediol butyl ether 177.79
    triethyl orthoformate 125.3
    p-tert-butyltoluene 46.25
    methyl 4-tert-butylbenzoate 181.44
    morpholine 394.52
    tert-butylamine 186.84
    n-dodecanol 34.06
    dimethoxymethane 214.74
    ethylene carbonate 150.97
    cyrene 211.73
    2-ethoxyethyl acetate 191.73
    2-ethylhexyl acetate 167.56
    1,2,4-trichlorobenzene 161.0
    4-methylpyridine 202.82
    dibutyl ether 130.36
    2,6-dimethyl-4-heptanol 66.44
    DEF 271.03
    dimethyl isosorbide 390.17
    tetrachloroethylene 259.28
    eugenol 157.96
    triacetin 214.54
    span 80 181.68
    1,4-butanediol 52.7
    1,1-dichloroethane 240.77
    2-methyl-1-pentanol 134.04
    methyl formate 75.56
    2-methyl-1-butanol 149.36
    n-decane 10.77
    butyronitrile 114.39
    3,7-dimethyl-1-octanol 86.42
    1-chlorooctane 60.1
    1-chlorotetradecane 20.28
    n-nonane 10.2
    undecane 6.97
    tert-butylcyclohexane 24.9
    cyclooctane 12.08
    cyclopentanol 275.62
    tetrahydropyran 355.86
    tert-amyl methyl ether 176.37
    2,5,8-trioxanonane 307.92
    1-hexene 99.72
    2-isopropoxyethanol 176.22
    2,2,2-trifluoroethanol 44.79
    methyl butyrate 222.84

    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