Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester

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  • Identifiers

    CAS number
    68957-79-9

    Molecular formula
    C51H98O6

    SMILES
    CC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 72.33%
    Fatty 51.72%
    Oily 40.47%
    Odorless 39.32%
    Creamy 20.07%
    Alcoholic 18.91%
    Woody 17.78%
    Balsamic 17.56%
    Sweet 17.0%
    Milky 16.88%

     

    Flavor
    Waxy 43.68%
    Mild 41.74%
    Oily 40.69%
    Bland 40.53%
    Fatty 38.51%
    Faint 32.94%
    Odorless 27.1%
    Fat 24.37%
    Slightly waxy 24.28%
    Beer 22.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.1

    pKa est.
    10.62 (weak base)

    Molecular weight
    807.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    601°C

    Flash point

    • 273.29 ˚C est.

  • Synonyms

    • Triisopalmitin
    • Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
    • RefChem:791875
    • Glycerol triisopalmitate
    • 68957-79-9
    • 2,3-bis(14-methylpentadecanoyloxy)propyl 14-methylpentadecanoate
    • 1,2,3-Propanetriyl triisohexadecanoate
    • propane-1,2,3-triyl tris(14-methylpentadecanoate)
    • Glyceryl triisopalmitate
    • Glycerol, triisopalmitate
    • EINECS 273-364-3
    • Isohexadecanoic acid, 1,2,3-propanetriyl ester
    • SCHEMBL152023
    • DTXSID5071913
    • FUTGDWNFCMWSJT-UHFFFAOYSA-N
    • 1,2,3-Propanetriol triisohexadecanoate
    • NS00014174
    • TG(i-16:0/i-16:0/i-16:0)
    • Triisohexadecanoic acid, 1,2,3-propanetriyl ester
    • 68957-79-9

  • Applications

    Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68957-79-9) is a glyceryl triester of isohexadecanoic acid used across several industries. It is commonly employed as an emollient and skin-conditioning agent in cosmetics and personal care; as a plasticizer and processing aid for polymers to improve flexibility in plastics formulations; as a lubricating additive or slip agent in industrial manufacturing and coating systems; and as a lipophilic carrier or solvent component in coatings, inks, and certain cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.13
    methanol 12.25
    isopropanol 13.41
    water 0.19
    ethyl acetate 151.48
    n-propanol 21.28
    acetone 103.44
    n-butanol 20.12
    acetonitrile 32.87
    DMF 168.21
    toluene 66.8
    isobutanol 20.3
    1,4-dioxane 110.4
    methyl acetate 116.2
    THF 298.03
    2-butanone 133.26
    n-pentanol 24.53
    sec-butanol 28.83
    n-hexane 10.93
    ethylene glycol 2.09
    NMP 606.68
    cyclohexane 22.31
    DMSO 162.89
    n-butyl acetate 107.98
    n-octanol 32.64
    chloroform 439.59
    n-propyl acetate 138.21
    acetic acid 95.47
    dichloromethane 420.83
    cyclohexanone 309.91
    propylene glycol 7.01
    isopropyl acetate 135.22
    DMAc 488.99
    2-ethoxyethanol 63.38
    isopentanol 23.66
    n-heptane 7.82
    ethyl formate 68.25
    1,2-dichloroethane 218.15
    n-hexanol 18.95
    2-methoxyethanol 55.58
    isobutyl acetate 87.86
    tetrachloromethane 96.98
    n-pentyl acetate 195.55
    transcutol 334.85
    n-heptanol 26.26
    ethylbenzene 45.87
    MIBK 93.42
    2-propoxyethanol 63.68
    tert-butanol 23.63
    MTBE 72.17
    2-butoxyethanol 91.41
    propionic acid 67.85
    o-xylene 68.62
    formic acid 21.47
    diethyl ether 53.06
    m-xylene 50.78
    p-xylene 66.05
    chlorobenzene 125.51
    dimethyl carbonate 83.35
    n-octane 5.08
    formamide 37.42
    cyclopentanone 379.23
    2-pentanone 120.83
    anisole 87.32
    cyclopentyl methyl ether 170.85
    gamma-butyrolactone 443.11
    1-methoxy-2-propanol 63.71
    pyridine 155.8
    3-pentanone 139.36
    furfural 287.47
    n-dodecane 2.79
    diethylene glycol 22.63
    diisopropyl ether 32.17
    tert-amyl alcohol 48.5
    acetylacetone 221.0
    n-hexadecane 3.34
    acetophenone 145.37
    methyl propionate 145.76
    isopentyl acetate 114.08
    trichloroethylene 534.52
    n-nonanol 34.92
    cyclohexanol 53.91
    benzyl alcohol 49.9
    2-ethylhexanol 24.7
    isooctanol 30.32
    dipropyl ether 56.41
    1,2-dichlorobenzene 176.14
    ethyl lactate 70.43
    propylene carbonate 269.57
    n-methylformamide 64.93
    2-pentanol 23.03
    n-pentane 6.56
    1-propoxy-2-propanol 73.34
    1-methoxy-2-propyl acetate 152.95
    2-(2-methoxypropoxy) propanol 109.04
    mesitylene 36.11
    ε-caprolactone 364.13
    p-cymene 34.39
    epichlorohydrin 370.32
    1,1,1-trichloroethane 338.35
    2-aminoethanol 8.16
    morpholine-4-carbaldehyde 293.61
    sulfolane 736.47
    2,2,4-trimethylpentane 10.57
    2-methyltetrahydrofuran 220.41
    n-hexyl acetate 178.8
    isooctane 4.22
    2-(2-butoxyethoxy)ethanol 119.43
    sec-butyl acetate 122.63
    tert-butyl acetate 185.48
    decalin 16.24
    glycerin 14.27
    diglyme 296.84
    acrylic acid 58.14
    isopropyl myristate 50.56
    n-butyric acid 118.25
    acetyl acetate 144.1
    di(2-ethylhexyl) phthalate 57.09
    ethyl propionate 143.56
    nitromethane 229.49
    1,2-diethoxyethane 129.78
    benzonitrile 65.82
    trioctyl phosphate 35.93
    1-bromopropane 109.79
    gamma-valerolactone 481.5
    n-decanol 20.38
    triethyl phosphate 92.98
    4-methyl-2-pentanol 18.87
    propionitrile 37.37
    vinylene carbonate 212.08
    1,1,2-trichlorotrifluoroethane 296.63
    DMS 142.89
    cumene 33.51
    2-octanol 27.83
    2-hexanone 119.86
    octyl acetate 68.26
    limonene 55.97
    1,2-dimethoxyethane 142.33
    ethyl orthosilicate 84.93
    tributyl phosphate 54.12
    diacetone alcohol 135.46
    N,N-dimethylaniline 76.06
    acrylonitrile 45.44
    aniline 58.04
    1,3-propanediol 15.62
    bromobenzene 156.75
    dibromomethane 236.21
    1,1,2,2-tetrachloroethane 506.47
    2-methyl-cyclohexyl acetate 118.0
    tetrabutyl urea 81.34
    diisobutyl methanol 19.29
    2-phenylethanol 41.01
    styrene 50.07
    dioctyl adipate 99.67
    dimethyl sulfate 229.2
    ethyl butyrate 127.98
    methyl lactate 71.13
    butyl lactate 138.97
    diethyl carbonate 82.56
    propanediol butyl ether 71.81
    triethyl orthoformate 119.73
    p-tert-butyltoluene 33.26
    methyl 4-tert-butylbenzoate 198.04
    morpholine 144.89
    tert-butylamine 16.59
    n-dodecanol 12.86
    dimethoxymethane 105.14
    ethylene carbonate 180.01
    cyrene 138.93
    2-ethoxyethyl acetate 250.54
    2-ethylhexyl acetate 104.18
    1,2,4-trichlorobenzene 247.59
    4-methylpyridine 159.15
    dibutyl ether 68.74
    2,6-dimethyl-4-heptanol 19.29
    DEF 190.59
    dimethyl isosorbide 251.43
    tetrachloroethylene 288.62
    eugenol 121.95
    triacetin 281.69
    span 80 91.1
    1,4-butanediol 9.49
    1,1-dichloroethane 204.59
    2-methyl-1-pentanol 32.0
    methyl formate 62.63
    2-methyl-1-butanol 30.6
    n-decane 7.12
    butyronitrile 37.24
    3,7-dimethyl-1-octanol 35.22
    1-chlorooctane 41.29
    1-chlorotetradecane 11.1
    n-nonane 6.67
    undecane 4.11
    tert-butylcyclohexane 12.4
    cyclooctane 9.76
    cyclopentanol 59.29
    tetrahydropyran 143.75
    tert-amyl methyl ether 96.62
    2,5,8-trioxanonane 156.54
    1-hexene 29.28
    2-isopropoxyethanol 59.29
    2,2,2-trifluoroethanol 68.64
    methyl butyrate 182.53

    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