Tritridecanoin

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  • Identifiers

    CAS number
    26536-12-9

    Molecular formula
    C42H80O6

    SMILES
    CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 66.19%
    Fatty 65.72%
    Oily 51.78%
    Odorless 38.23%
    Creamy 28.36%
    Buttery 24.0%
    Sweet 22.8%
    Dairy 21.09%
    Milky 20.54%
    Alcoholic 19.47%

     

    Flavor
    Waxy 57.97%
    Fatty 48.89%
    Oily 48.13%
    Mild 44.44%
    Bland 36.22%
    Soapy 30.99%
    Faint 30.95%
    Creamy 30.55%
    Fat 28.4%
    Coconut 27.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.1

    pKa est.
    8.79 (weak base)

    Molecular weight
    681.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    578°C

    Melting point expt.

    • 44.5 °C

    Flash point

    • 252.84 ˚C est.

  • Synonyms

    • Tritridecanoin
    • 26536-12-9
    • YN56Q9YH9J
    • DTXSID60181107
    • RefChem:1100555
    • DTXCID30103598
    • 247-765-9
    • 1,2,3-Tritridecanoylglycerol
    • Glyceryl tritridecanoate
    • propane-1,2,3-triyl tritridecanoate
    • 2,3-di(tridecanoyloxy)propyl tridecanoate
    • MFCD00198038
    • 1,2,3-tritridecanoyl-sn-glycerol
    • 1,3-bis(tridecanoyloxy)propan-2-yl tridecanoate
    • TG(13:0/13:0/13:0)
    • UNII-YN56Q9YH9J
    • Tridecanoic Acid 1,2,3-Propanetriyl Ester; Glycerin Tritridecanoate; Glycerol tris(tridecanoate); Tritridecanoin; Tridecanoic Acid 1,1',1''-(1,2,3-Propanetriyl) Ester
    • EINECS 247-765-9
    • Tritridecanoin, 8CI
    • Glycerol tritridecanoate
    • TRIDECANOIN, TRI-
    • GLYCERIN TRITRIDECANOATE
    • orb2283124
    • SCHEMBL2445780
    • MSK2003
    • CHEBI:177670
    • Glyceryl tritridecanoate, >=99%
    • UDXANBFMQUOKTQ-UHFFFAOYSA-N
    • GLYCEROL TRIS(TRIDECANOATE)
    • C42H80O6
    • LMGL03012619
    • Propane-1,2(3)-triyl tritridecanoate
    • HY-W643167
    • 1,2,3-Propanetriyl tritridecanoate, 9CI
    • AS-82721
    • BP-29842
    • PD099239
    • CS-0727453
    • NS00028128
    • G78065
    • Q2211939
    • TRIDECANOIC ACID, 1,2,3-PROPANETRIYL ESTER
    • TRIDECANOIC ACID, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER
    • 1,2,3-Tritridecanoylglycerol, TG(13:0/13:0/13:0), Tritridecanoin (C13:0)
    • 26536-12-9

  • Applications

    Tritridecanoin (CAS 26536-12-9) is the triglyceride of glycerol with tridecanoic acid, commonly used as an emollient and solvent in cosmetics and personal care formulations, providing lubrication and skin conditioning without a heavy residue. It also acts as a carrier oil for fragrances and cosmetic actives, and may serve as a processing aid or plasticizer in coatings, inks, and adhesives. In pharmaceutical and industrial settings, glyceryl tridecanoate can function as a lipid-based excipient and solvent for lipophilic drugs, as well as a component in specialty cleaning and formulation systems; its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.54
    methanol 10.95
    isopropanol 8.72
    water 0.34
    ethyl acetate 135.01
    n-propanol 15.18
    acetone 90.1
    n-butanol 14.15
    acetonitrile 35.95
    DMF 185.32
    toluene 56.84
    isobutanol 13.94
    1,4-dioxane 98.18
    methyl acetate 114.15
    THF 240.6
    2-butanone 120.83
    n-pentanol 16.69
    sec-butanol 20.08
    n-hexane 8.46
    ethylene glycol 2.23
    NMP 713.29
    cyclohexane 22.44
    DMSO 195.81
    n-butyl acetate 94.27
    n-octanol 23.57
    chloroform 401.7
    n-propyl acetate 122.66
    acetic acid 81.0
    dichloromethane 436.47
    cyclohexanone 301.7
    propylene glycol 5.53
    isopropyl acetate 112.88
    DMAc 552.71
    2-ethoxyethanol 49.44
    isopentanol 16.34
    n-heptane 6.37
    ethyl formate 65.05
    1,2-dichloroethane 224.08
    n-hexanol 12.61
    2-methoxyethanol 44.79
    isobutyl acetate 68.32
    tetrachloromethane 91.72
    n-pentyl acetate 170.17
    transcutol 258.38
    n-heptanol 19.03
    ethylbenzene 37.89
    MIBK 75.47
    2-propoxyethanol 45.0
    tert-butanol 16.88
    MTBE 53.86
    2-butoxyethanol 68.44
    propionic acid 63.11
    o-xylene 61.37
    formic acid 22.06
    diethyl ether 41.1
    m-xylene 41.7
    p-xylene 57.92
    chlorobenzene 122.0
    dimethyl carbonate 90.2
    n-octane 4.42
    formamide 41.48
    cyclopentanone 363.99
    2-pentanone 100.57
    anisole 77.65
    cyclopentyl methyl ether 138.61
    gamma-butyrolactone 472.31
    1-methoxy-2-propanol 47.52
    pyridine 155.9
    3-pentanone 129.99
    furfural 323.8
    n-dodecane 2.61
    diethylene glycol 18.83
    diisopropyl ether 24.19
    tert-amyl alcohol 35.62
    acetylacetone 206.72
    n-hexadecane 3.11
    acetophenone 144.84
    methyl propionate 134.62
    isopentyl acetate 92.33
    trichloroethylene 523.62
    n-nonanol 25.65
    cyclohexanol 43.57
    benzyl alcohol 42.04
    2-ethylhexanol 18.1
    isooctanol 21.06
    dipropyl ether 44.54
    1,2-dichlorobenzene 187.07
    ethyl lactate 63.26
    propylene carbonate 280.2
    n-methylformamide 69.99
    2-pentanol 15.74
    n-pentane 5.17
    1-propoxy-2-propanol 53.09
    1-methoxy-2-propyl acetate 124.59
    2-(2-methoxypropoxy) propanol 87.85
    mesitylene 30.73
    ε-caprolactone 342.53
    p-cymene 28.72
    epichlorohydrin 353.98
    1,1,1-trichloroethane 323.11
    2-aminoethanol 7.12
    morpholine-4-carbaldehyde 310.9
    sulfolane 832.41
    2,2,4-trimethylpentane 8.47
    2-methyltetrahydrofuran 186.94
    n-hexyl acetate 148.6
    isooctane 2.98
    2-(2-butoxyethoxy)ethanol 89.21
    sec-butyl acetate 100.41
    tert-butyl acetate 153.11
    decalin 14.82
    glycerin 12.68
    diglyme 253.04
    acrylic acid 59.61
    isopropyl myristate 45.09
    n-butyric acid 99.73
    acetyl acetate 153.19
    di(2-ethylhexyl) phthalate 50.65
    ethyl propionate 132.9
    nitromethane 247.56
    1,2-diethoxyethane 110.96
    benzonitrile 66.71
    trioctyl phosphate 31.81
    1-bromopropane 92.96
    gamma-valerolactone 459.74
    n-decanol 15.63
    triethyl phosphate 94.51
    4-methyl-2-pentanol 12.38
    propionitrile 37.49
    vinylene carbonate 236.12
    1,1,2-trichlorotrifluoroethane 292.32
    DMS 147.12
    cumene 28.41
    2-octanol 19.95
    2-hexanone 98.94
    octyl acetate 60.67
    limonene 47.55
    1,2-dimethoxyethane 125.98
    ethyl orthosilicate 81.12
    tributyl phosphate 49.69
    diacetone alcohol 106.64
    N,N-dimethylaniline 70.6
    acrylonitrile 51.7
    aniline 50.93
    1,3-propanediol 12.36
    bromobenzene 154.47
    dibromomethane 223.82
    1,1,2,2-tetrachloroethane 493.22
    2-methyl-cyclohexyl acetate 102.01
    tetrabutyl urea 77.88
    diisobutyl methanol 14.31
    2-phenylethanol 32.69
    styrene 44.48
    dioctyl adipate 92.71
    dimethyl sulfate 278.34
    ethyl butyrate 117.62
    methyl lactate 70.8
    butyl lactate 110.82
    diethyl carbonate 81.23
    propanediol butyl ether 51.53
    triethyl orthoformate 106.99
    p-tert-butyltoluene 26.6
    methyl 4-tert-butylbenzoate 176.93
    morpholine 119.45
    tert-butylamine 12.1
    n-dodecanol 10.37
    dimethoxymethane 93.93
    ethylene carbonate 191.82
    cyrene 127.12
    2-ethoxyethyl acetate 225.91
    2-ethylhexyl acetate 86.44
    1,2,4-trichlorobenzene 258.94
    4-methylpyridine 148.41
    dibutyl ether 56.8
    2,6-dimethyl-4-heptanol 14.31
    DEF 189.86
    dimethyl isosorbide 216.9
    tetrachloroethylene 292.22
    eugenol 108.67
    triacetin 265.39
    span 80 70.94
    1,4-butanediol 7.96
    1,1-dichloroethane 185.75
    2-methyl-1-pentanol 22.69
    methyl formate 65.73
    2-methyl-1-butanol 21.38
    n-decane 6.23
    butyronitrile 33.2
    3,7-dimethyl-1-octanol 25.39
    1-chlorooctane 34.32
    1-chlorotetradecane 10.06
    n-nonane 5.81
    undecane 3.71
    tert-butylcyclohexane 10.09
    cyclooctane 9.55
    cyclopentanol 50.21
    tetrahydropyran 117.04
    tert-amyl methyl ether 75.69
    2,5,8-trioxanonane 143.45
    1-hexene 21.14
    2-isopropoxyethanol 42.77
    2,2,2-trifluoroethanol 71.63
    methyl butyrate 170.69

    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