Glyceryl 3-oxotetradecanoate

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  • Identifiers

    CAS number
    128331-49-7

    Molecular formula
    C17H34O6

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

  • Odor profile

    Fragrance
    Fatty 77.5%
    Waxy 59.75%
    Dairy 43.0%
    Milky 40.08%
    Creamy 36.83%
    Oily 36.38%
    Buttery 29.17%
    Lactonic 28.72%
    Citrus 28.68%
    Meaty 27.75%

     

    Flavor
    Fatty 63.01%
    Waxy 50.49%
    Oily 37.42%
    Fat 35.46%
    Cheese 34.51%
    Creamy 32.45%
    Coconut 32.36%
    Fruity 29.32%
    Mild 29.31%
    Soapy 27.15%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.78 (neutral)

    Molecular weight
    334.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 171.44 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in oils

  • Synonyms

    • Glycerol 3-oxotetradecanoate
    • 1WMN7PVK2J
    • 128331-49-7
    • Glyceryl 3-oxotetradecanoate
    • FEMA No. 3772
    • 3-Oxotetradecanoic acid glyceride
    • EINECS 293-236-0
    • 91052-73-2
    • Tetradecanoic acid, 3-oxo-, monoester with 1,2,3-propanetriol
    • UNII-1WMN7PVK2J
    • DTXSID301071201
    • DTXSID901019833
    • 3-OXOTETRADECANOIC ACID GLYCERIDE [FHFI]
    • GLYCERIDES, PALM-OIL MONO-AND DI-, HYDROGENATED, 3-OXOTETRADECANOATES
    • 293-236-0

  • Applications

    Glyceryl 3-oxotetradecanoate (CAS 128331-49-7) is mainly encountered as an intermediate and processing aid in chemical formulations. It may serve as a precursor for the synthesis of specialty esters used as lubricants and polymer additives, helping impart lubricity and compatibility. It can act as a plasticizer or processing aid in polymers and coatings to improve flexibility and handling. In formulation science, it can function as an emollient or co-solvent in cosmetics and personal care products, and as a surfactant intermediate for detergents and cleaners. It may also be evaluated as a biodegradable ester solvent in various industrial formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 468.33
    methanol 459.87
    isopropanol 464.94
    water 0.04
    ethyl acetate 202.65
    n-propanol 348.07
    acetone 553.36
    n-butanol 307.87
    acetonitrile 117.15
    DMF 946.43
    toluene 78.17
    isobutanol 309.85
    1,4-dioxane 337.69
    methyl acetate 154.46
    THF 1455.72
    2-butanone 341.9
    n-pentanol 264.08
    sec-butanol 289.25
    n-hexane 50.99
    ethylene glycol 51.13
    NMP 822.67
    cyclohexane 45.61
    DMSO 1779.1
    n-butyl acetate 272.19
    n-octanol 97.71
    chloroform 378.0
    n-propyl acetate 250.14
    acetic acid 211.92
    dichloromethane 344.09
    cyclohexanone 713.44
    propylene glycol 173.35
    isopropyl acetate 219.98
    DMAc 675.76
    2-ethoxyethanol 353.27
    isopentanol 341.87
    n-heptane 16.37
    ethyl formate 127.33
    1,2-dichloroethane 366.19
    n-hexanol 234.84
    2-methoxyethanol 568.07
    isobutyl acetate 202.73
    tetrachloromethane 64.19
    n-pentyl acetate 189.94
    transcutol 1056.97
    n-heptanol 100.2
    ethylbenzene 70.6
    MIBK 331.15
    2-propoxyethanol 415.12
    tert-butanol 624.98
    MTBE 349.74
    2-butoxyethanol 237.85
    propionic acid 211.67
    o-xylene 77.02
    formic acid 61.29
    diethyl ether 225.67
    m-xylene 88.15
    p-xylene 94.53
    chlorobenzene 125.03
    dimethyl carbonate 66.33
    n-octane 7.21
    formamide 108.54
    cyclopentanone 936.35
    2-pentanone 377.08
    anisole 162.52
    cyclopentyl methyl ether 505.25
    gamma-butyrolactone 742.84
    1-methoxy-2-propanol 598.32
    pyridine 268.36
    3-pentanone 196.94
    furfural 422.48
    n-dodecane 5.77
    diethylene glycol 242.16
    diisopropyl ether 96.26
    tert-amyl alcohol 390.41
    acetylacetone 415.75
    n-hexadecane 6.85
    acetophenone 185.74
    methyl propionate 183.44
    isopentyl acetate 292.01
    trichloroethylene 506.01
    n-nonanol 88.41
    cyclohexanol 339.03
    benzyl alcohol 155.27
    2-ethylhexanol 141.34
    isooctanol 98.88
    dipropyl ether 170.09
    1,2-dichlorobenzene 141.77
    ethyl lactate 126.07
    propylene carbonate 335.28
    n-methylformamide 265.5
    2-pentanol 236.12
    n-pentane 21.64
    1-propoxy-2-propanol 346.92
    1-methoxy-2-propyl acetate 292.56
    2-(2-methoxypropoxy) propanol 252.64
    mesitylene 71.34
    ε-caprolactone 470.07
    p-cymene 51.11
    epichlorohydrin 701.4
    1,1,1-trichloroethane 303.89
    2-aminoethanol 196.32
    morpholine-4-carbaldehyde 546.22
    sulfolane 1265.22
    2,2,4-trimethylpentane 17.92
    2-methyltetrahydrofuran 699.53
    n-hexyl acetate 248.67
    isooctane 15.61
    2-(2-butoxyethoxy)ethanol 342.69
    sec-butyl acetate 186.65
    tert-butyl acetate 334.65
    decalin 31.75
    glycerin 204.41
    diglyme 587.79
    acrylic acid 135.11
    isopropyl myristate 90.65
    n-butyric acid 382.13
    acetyl acetate 114.13
    di(2-ethylhexyl) phthalate 93.89
    ethyl propionate 181.3
    nitromethane 339.03
    1,2-diethoxyethane 266.78
    benzonitrile 155.63
    trioctyl phosphate 70.44
    1-bromopropane 225.84
    gamma-valerolactone 856.79
    n-decanol 63.79
    triethyl phosphate 95.82
    4-methyl-2-pentanol 159.7
    propionitrile 135.08
    vinylene carbonate 214.67
    1,1,2-trichlorotrifluoroethane 466.68
    DMS 138.16
    cumene 61.16
    2-octanol 75.9
    2-hexanone 338.89
    octyl acetate 108.2
    limonene 92.14
    1,2-dimethoxyethane 574.13
    ethyl orthosilicate 95.93
    tributyl phosphate 96.12
    diacetone alcohol 475.44
    N,N-dimethylaniline 133.39
    acrylonitrile 144.17
    aniline 135.06
    1,3-propanediol 295.56
    bromobenzene 125.84
    dibromomethane 266.07
    1,1,2,2-tetrachloroethane 548.63
    2-methyl-cyclohexyl acetate 192.12
    tetrabutyl urea 138.43
    diisobutyl methanol 88.29
    2-phenylethanol 154.37
    styrene 80.0
    dioctyl adipate 154.86
    dimethyl sulfate 189.01
    ethyl butyrate 180.44
    methyl lactate 151.41
    butyl lactate 186.95
    diethyl carbonate 101.54
    propanediol butyl ether 261.92
    triethyl orthoformate 140.12
    p-tert-butyltoluene 54.23
    methyl 4-tert-butylbenzoate 203.36
    morpholine 647.2
    tert-butylamine 351.28
    n-dodecanol 46.31
    dimethoxymethane 380.42
    ethylene carbonate 186.64
    cyrene 252.53
    2-ethoxyethyl acetate 220.62
    2-ethylhexyl acetate 207.79
    1,2,4-trichlorobenzene 176.28
    4-methylpyridine 277.76
    dibutyl ether 154.38
    2,6-dimethyl-4-heptanol 88.29
    DEF 390.25
    dimethyl isosorbide 450.63
    tetrachloroethylene 295.7
    eugenol 186.64
    triacetin 231.12
    span 80 230.32
    1,4-butanediol 114.54
    1,1-dichloroethane 312.45
    2-methyl-1-pentanol 236.86
    methyl formate 133.18
    2-methyl-1-butanol 275.97
    n-decane 11.25
    butyronitrile 206.26
    3,7-dimethyl-1-octanol 117.75
    1-chlorooctane 68.28
    1-chlorotetradecane 22.5
    n-nonane 10.66
    undecane 7.7
    tert-butylcyclohexane 30.51
    cyclooctane 12.72
    cyclopentanol 465.49
    tetrahydropyran 549.4
    tert-amyl methyl ether 256.77
    2,5,8-trioxanonane 397.07
    1-hexene 184.91
    2-isopropoxyethanol 287.99
    2,2,2-trifluoroethanol 68.95
    methyl butyrate 279.95

    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