Triheptadecanoin

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  • Identifiers

    CAS number
    2438-40-6

    Molecular formula
    C54H104O6

    SMILES
    CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.37%
    Fatty 64.55%
    Oily 48.25%
    Odorless 37.77%
    Creamy 23.79%
    Sweet 20.44%
    Buttery 17.06%
    Dairy 16.97%
    Milky 16.09%
    Alcoholic 15.73%

     

    Flavor
    Waxy 56.06%
    Fatty 47.64%
    Mild 44.87%
    Oily 42.46%
    Bland 38.62%
    Faint 33.32%
    Fat 28.37%
    Odorless 27.62%
    Soapy 25.91%
    Coconut 25.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    23.6

    pKa est.
    10.92 (weak base)

    Molecular weight
    849.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    629°C

    Melting point expt.

    • 64 °C

    Flash point

    • 299.23 ˚C est.

  • Synonyms

    • Triheptadecanoin
    • 2438-40-6
    • Trimargarin
    • Trimargarine
    • Trimargaroylglycerol
    • Glycerol triheptadecanoate
    • Triglyceride HdHdHd
    • Heptadecanoin, tri-
    • Palmitic acid triglyderide
    • Heptadecanoic acid triglyceride
    • RQ21ORH87V
    • Heptadecanoic acid, 1,2,3-propanetriyl ester
    • Heptadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
    • DTXSID40179128
    • RefChem:899634
    • DTXCID70101619
    • Glyceryl triheptadecanoate
    • 2,3-di(heptadecanoyloxy)propyl heptadecanoate
    • 1,2,3-Propanetriyl triheptadecanoate
    • 1,3-BIS(HEPTADECANOYLOXY)PROPAN-2-YL HEPTADECANOATE
    • 1,2,3-triheptadecanoyl-glycerol
    • 1,2,3-triheptadecanoyl-sn-glycerol
    • MFCD00053740
    • TG(17:0/17:0/17:0)
    • C54H104O6
    • UNII-RQ21ORH87V
    • 1,2,3-Triheptadecanoylglycerol
    • LMGL03010031
    • Triheptadecanoin, 8CI
    • orb3024982
    • orb3029165
    • SCHEMBL1671526
    • MSK2053
    • CHEBI:140863
    • FBFWDBGUSMGXPI-UHFFFAOYSA-N
    • Glyceryl triheptadecanoate, >=99%
    • AKOS030255024
    • Propane-1,2,3-triyl triheptadecanoate
    • beta-1,2,3-tris(heptadecanoyl)glycerol
    • AS-56815
    • BP-29847
    • PD018368
    • DB-215762
    • HY-141642
    • CS-0182833
    • NS00095789
    • G77689
    • Q27288241
    • 2438-40-6

  • Applications

    Triheptadecanoin (CAS 2438-40-6) is the triglyceride of heptadecanoic acid and is used as a non-polar lipid oil base in cosmetic and personal care formulations, providing emollience and slip and serving as a carrier for lipophilic actives and fragrance ingredients; it can function as a lipid-based excipient and solvent for lipophilic drugs in pharmaceutical formulations; it is used as a processing oil or base oil in industrial manufacturing, including coatings and inks; in the polymers/plastics sector, it can act as a plasticizer or processing aid for certain oil-based polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.9
    methanol 13.81
    isopropanol 11.63
    water 0.52
    ethyl acetate 171.33
    n-propanol 20.08
    acetone 110.66
    n-butanol 18.49
    acetonitrile 44.25
    DMF 225.36
    toluene 68.88
    isobutanol 18.71
    1,4-dioxane 122.72
    methyl acetate 141.02
    THF 294.33
    2-butanone 147.32
    n-pentanol 21.52
    sec-butanol 26.28
    n-hexane 11.0
    ethylene glycol 2.93
    NMP 832.02
    cyclohexane 29.66
    DMSO 229.63
    n-butyl acetate 120.62
    n-octanol 30.92
    chloroform 468.69
    n-propyl acetate 152.82
    acetic acid 103.18
    dichloromethane 499.12
    cyclohexanone 372.34
    propylene glycol 7.24
    isopropyl acetate 144.1
    DMAc 624.26
    2-ethoxyethanol 60.64
    isopentanol 21.25
    n-heptane 8.79
    ethyl formate 85.13
    1,2-dichloroethane 259.66
    n-hexanol 17.09
    2-methoxyethanol 55.63
    isobutyl acetate 87.24
    tetrachloromethane 114.89
    n-pentyl acetate 217.4
    transcutol 292.88
    n-heptanol 25.66
    ethylbenzene 47.05
    MIBK 94.6
    2-propoxyethanol 57.3
    tert-butanol 21.88
    MTBE 65.41
    2-butoxyethanol 85.96
    propionic acid 81.83
    o-xylene 76.38
    formic acid 28.29
    diethyl ether 52.47
    m-xylene 53.02
    p-xylene 72.27
    chlorobenzene 147.62
    dimethyl carbonate 117.46
    n-octane 6.05
    formamide 52.17
    cyclopentanone 447.34
    2-pentanone 124.01
    anisole 93.81
    cyclopentyl methyl ether 174.24
    gamma-butyrolactone 589.81
    1-methoxy-2-propanol 60.4
    pyridine 192.83
    3-pentanone 158.82
    furfural 401.29
    n-dodecane 3.47
    diethylene glycol 23.62
    diisopropyl ether 31.22
    tert-amyl alcohol 44.51
    acetylacetone 262.62
    n-hexadecane 4.14
    acetophenone 174.88
    methyl propionate 172.59
    isopentyl acetate 116.78
    trichloroethylene 610.7
    n-nonanol 33.51
    cyclohexanol 57.05
    benzyl alcohol 51.51
    2-ethylhexanol 23.75
    isooctanol 28.12
    dipropyl ether 57.78
    1,2-dichlorobenzene 224.8
    ethyl lactate 81.11
    propylene carbonate 356.76
    n-methylformamide 89.22
    2-pentanol 20.77
    n-pentane 6.98
    1-propoxy-2-propanol 68.57
    1-methoxy-2-propyl acetate 157.14
    2-(2-methoxypropoxy) propanol 105.53
    mesitylene 39.49
    ε-caprolactone 430.65
    p-cymene 36.53
    epichlorohydrin 435.42
    1,1,1-trichloroethane 396.53
    2-aminoethanol 9.36
    morpholine-4-carbaldehyde 365.92
    sulfolane 1008.36
    2,2,4-trimethylpentane 10.56
    2-methyltetrahydrofuran 229.0
    n-hexyl acetate 184.06
    isooctane 3.95
    2-(2-butoxyethoxy)ethanol 108.05
    sec-butyl acetate 127.55
    tert-butyl acetate 188.78
    decalin 18.35
    glycerin 16.39
    diglyme 293.5
    acrylic acid 76.59
    isopropyl myristate 56.14
    n-butyric acid 127.12
    acetyl acetate 196.1
    di(2-ethylhexyl) phthalate 63.48
    ethyl propionate 168.47
    nitromethane 299.57
    1,2-diethoxyethane 134.2
    benzonitrile 83.77
    trioctyl phosphate 41.14
    1-bromopropane 113.87
    gamma-valerolactone 561.27
    n-decanol 20.18
    triethyl phosphate 116.96
    4-methyl-2-pentanol 16.12
    propionitrile 48.37
    vinylene carbonate 303.43
    1,1,2-trichlorotrifluoroethane 348.53
    DMS 186.75
    cumene 35.25
    2-octanol 26.44
    2-hexanone 120.82
    octyl acetate 76.78
    limonene 59.86
    1,2-dimethoxyethane 147.52
    ethyl orthosilicate 100.95
    tributyl phosphate 63.34
    diacetone alcohol 131.58
    N,N-dimethylaniline 84.44
    acrylonitrile 65.51
    aniline 65.57
    1,3-propanediol 16.14
    bromobenzene 186.17
    dibromomethane 263.08
    1,1,2,2-tetrachloroethane 563.64
    2-methyl-cyclohexyl acetate 128.46
    tetrabutyl urea 95.23
    diisobutyl methanol 18.43
    2-phenylethanol 41.63
    styrene 54.33
    dioctyl adipate 115.01
    dimethyl sulfate 348.77
    ethyl butyrate 148.64
    methyl lactate 91.08
    butyl lactate 142.58
    diethyl carbonate 105.29
    propanediol butyl ether 65.74
    triethyl orthoformate 133.96
    p-tert-butyltoluene 34.18
    methyl 4-tert-butylbenzoate 217.77
    morpholine 145.86
    tert-butylamine 15.58
    n-dodecanol 13.34
    dimethoxymethane 118.28
    ethylene carbonate 249.76
    cyrene 151.53
    2-ethoxyethyl acetate 280.33
    2-ethylhexyl acetate 108.23
    1,2,4-trichlorobenzene 308.29
    4-methylpyridine 183.3
    dibutyl ether 71.0
    2,6-dimethyl-4-heptanol 18.43
    DEF 224.94
    dimethyl isosorbide 258.38
    tetrachloroethylene 333.86
    eugenol 133.15
    triacetin 323.48
    span 80 87.13
    1,4-butanediol 10.38
    1,1-dichloroethane 222.08
    2-methyl-1-pentanol 28.65
    methyl formate 86.59
    2-methyl-1-butanol 27.46
    n-decane 8.32
    butyronitrile 42.07
    3,7-dimethyl-1-octanol 32.08
    1-chlorooctane 43.38
    1-chlorotetradecane 13.05
    n-nonane 7.73
    undecane 4.94
    tert-butylcyclohexane 12.79
    cyclooctane 12.65
    cyclopentanol 65.6
    tetrahydropyran 148.95
    tert-amyl methyl ether 91.15
    2,5,8-trioxanonane 166.58
    1-hexene 26.75
    2-isopropoxyethanol 53.16
    2,2,2-trifluoroethanol 91.43
    methyl butyrate 213.62

    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