Triundecanoin

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  • Identifiers

    CAS number
    13552-80-2

    Molecular formula
    C36H68O6

    SMILES
    CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 65.26%
    Waxy 57.54%
    Oily 54.12%
    Odorless 37.52%
    Creamy 30.69%
    Buttery 29.52%
    Dairy 23.87%
    Milky 23.57%
    Winey 23.53%
    Sweet 23.47%

     

    Flavor
    Waxy 58.98%
    Oily 49.6%
    Fatty 46.75%
    Mild 42.18%
    Soapy 33.36%
    Creamy 33.19%
    Bland 32.85%
    Fruity 31.42%
    Faint 27.36%
    Coconut 26.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.8

    pKa est.
    7.88 (neutral)

    Molecular weight
    596.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    540°C

    Melting point expt.

    • 31.2 °C

    Flash point

    • 232.89 ˚C est.

  • Synonyms

    • Triundecanoin
    • 13552-80-2
    • Glyceryl triundecanoate
    • Trihendecanoin
    • n-Trihendecanoin
    • Undecanoin, tri-
    • Undecanoic acid, 1,2,3-propanetriyl ester
    • ZTT041BJ4O
    • DUB TUAG
    • DERMOL M-27
    • LANOL 311 T
    • DTXSID3065532
    • RefChem:900644
    • DTXCID3034321
    • 236-935-8
    • Triundecylin
    • Propane-1,2,3-triyl triundecanoate
    • Glycerol triundecanoate
    • 2,3-di(undecanoyloxy)propyl undecanoate
    • 1,2,3-Triundecanoylglycerol
    • Undecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
    • GLYCERYLTRIUNDECANOATE
    • EINECS 236-935-8
    • UNII-ZTT041BJ4O
    • BRN 1810343
    • Tri-Undecanoin
    • Captex 8227
    • 3-02-00-00859 (Beilstein Handbook Reference)
    • orb1693146
    • SCHEMBL3503367
    • ?1,2,3-Triundecanoyl Glycerol
    • Glyceryl triundecanoate, >=98%
    • MSK2001
    • CHEBI:172766
    • MBXVIRZWSHICAV-UHFFFAOYSA-N
    • 1,2,3-tri-undecanoyl-sn-glycerol
    • AKOS015843150
    • 1,2,3-Propanetriyl undecanoate, 9CI
    • HY-W587877
    • BP-43455
    • NS00014190
    • G77600
    • Q27295885
    • TG 11:0_11:0_11:0
    • TG(11:0/11:0/11:0)
    • Undecanoic acid,1,1',1''-(1,2,3-propanetriyl)ester
    • 13552-80-2

  • Applications

    Triundecanoin (glyceryl triundecanoate) is a triglyceride that is commonly used as an emollient and solvent in cosmetics and personal care; it also acts as a lipid-based carrier in pharmaceutical formulations and drug-delivery systems, including soft gelatin capsules, due to its oily, non-polar character; in industrial manufacturing it serves as a base oil, processing aid, or plasticizer in polymers and coatings; in perfumery and household products it can function as a fragrance carrier or compatible vehicle, and may be used as a non-polar solvent component in cleaners and coatings; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.78
    methanol 13.83
    isopropanol 10.97
    water 0.41
    ethyl acetate 160.81
    n-propanol 18.16
    acetone 114.08
    n-butanol 16.96
    acetonitrile 47.01
    DMF 229.09
    toluene 68.75
    isobutanol 16.8
    1,4-dioxane 114.84
    methyl acetate 141.36
    THF 280.07
    2-butanone 148.97
    n-pentanol 19.58
    sec-butanol 24.24
    n-hexane 9.23
    ethylene glycol 2.74
    NMP 849.74
    cyclohexane 25.19
    DMSO 250.27
    n-butyl acetate 108.67
    n-octanol 26.27
    chloroform 483.33
    n-propyl acetate 148.32
    acetic acid 102.6
    dichloromethane 546.74
    cyclohexanone 355.81
    propylene glycol 6.7
    isopropyl acetate 132.78
    DMAc 685.7
    2-ethoxyethanol 60.56
    isopentanol 19.78
    n-heptane 6.51
    ethyl formate 77.17
    1,2-dichloroethane 286.73
    n-hexanol 14.32
    2-methoxyethanol 55.54
    isobutyl acetate 79.5
    tetrachloromethane 107.36
    n-pentyl acetate 190.94
    transcutol 314.0
    n-heptanol 21.41
    ethylbenzene 43.38
    MIBK 88.74
    2-propoxyethanol 52.33
    tert-butanol 21.61
    MTBE 65.52
    2-butoxyethanol 79.59
    propionic acid 76.27
    o-xylene 72.0
    formic acid 28.23
    diethyl ether 48.83
    m-xylene 48.94
    p-xylene 66.86
    chlorobenzene 147.87
    dimethyl carbonate 104.27
    n-octane 4.53
    formamide 53.79
    cyclopentanone 432.07
    2-pentanone 122.94
    anisole 91.14
    cyclopentyl methyl ether 160.87
    gamma-butyrolactone 548.14
    1-methoxy-2-propanol 56.81
    pyridine 186.47
    3-pentanone 158.75
    furfural 382.85
    n-dodecane 2.75
    diethylene glycol 23.05
    diisopropyl ether 27.3
    tert-amyl alcohol 43.58
    acetylacetone 251.36
    n-hexadecane 3.3
    acetophenone 175.88
    methyl propionate 159.46
    isopentyl acetate 107.79
    trichloroethylene 656.57
    n-nonanol 28.33
    cyclohexanol 51.59
    benzyl alcohol 51.15
    2-ethylhexanol 20.29
    isooctanol 23.45
    dipropyl ether 49.03
    1,2-dichlorobenzene 221.78
    ethyl lactate 72.22
    propylene carbonate 321.73
    n-methylformamide 87.6
    2-pentanol 18.57
    n-pentane 5.65
    1-propoxy-2-propanol 60.72
    1-methoxy-2-propyl acetate 144.2
    2-(2-methoxypropoxy) propanol 100.47
    mesitylene 34.93
    ε-caprolactone 398.67
    p-cymene 31.43
    epichlorohydrin 418.24
    1,1,1-trichloroethane 382.56
    2-aminoethanol 8.69
    morpholine-4-carbaldehyde 368.62
    sulfolane 966.51
    2,2,4-trimethylpentane 9.38
    2-methyltetrahydrofuran 221.84
    n-hexyl acetate 169.45
    isooctane 3.26
    2-(2-butoxyethoxy)ethanol 103.94
    sec-butyl acetate 117.1
    tert-butyl acetate 176.98
    decalin 16.63
    glycerin 15.29
    diglyme 299.67
    acrylic acid 72.8
    isopropyl myristate 50.44
    n-butyric acid 119.92
    acetyl acetate 182.22
    di(2-ethylhexyl) phthalate 56.65
    ethyl propionate 154.99
    nitromethane 312.77
    1,2-diethoxyethane 127.53
    benzonitrile 80.4
    trioctyl phosphate 35.47
    1-bromopropane 112.94
    gamma-valerolactone 535.84
    n-decanol 17.22
    triethyl phosphate 105.44
    4-methyl-2-pentanol 14.52
    propionitrile 45.52
    vinylene carbonate 274.07
    1,1,2-trichlorotrifluoroethane 348.6
    DMS 169.59
    cumene 32.13
    2-octanol 22.18
    2-hexanone 117.33
    octyl acetate 68.47
    limonene 52.63
    1,2-dimethoxyethane 153.49
    ethyl orthosilicate 89.95
    tributyl phosphate 55.63
    diacetone alcohol 126.11
    N,N-dimethylaniline 81.51
    acrylonitrile 65.4
    aniline 60.85
    1,3-propanediol 14.93
    bromobenzene 183.47
    dibromomethane 276.1
    1,1,2,2-tetrachloroethane 601.07
    2-methyl-cyclohexyl acetate 113.25
    tetrabutyl urea 87.21
    diisobutyl methanol 16.01
    2-phenylethanol 37.81
    styrene 53.75
    dioctyl adipate 105.62
    dimethyl sulfate 323.77
    ethyl butyrate 130.88
    methyl lactate 81.65
    butyl lactate 122.34
    diethyl carbonate 91.69
    propanediol butyl ether 59.06
    triethyl orthoformate 117.11
    p-tert-butyltoluene 28.97
    methyl 4-tert-butylbenzoate 198.09
    morpholine 142.58
    tert-butylamine 14.99
    n-dodecanol 11.47
    dimethoxymethane 114.34
    ethylene carbonate 219.95
    cyrene 145.0
    2-ethoxyethyl acetate 257.58
    2-ethylhexyl acetate 99.39
    1,2,4-trichlorobenzene 306.12
    4-methylpyridine 181.01
    dibutyl ether 63.23
    2,6-dimethyl-4-heptanol 16.01
    DEF 236.4
    dimethyl isosorbide 247.31
    tetrachloroethylene 362.83
    eugenol 123.57
    triacetin 301.5
    span 80 79.68
    1,4-butanediol 9.56
    1,1-dichloroethane 229.34
    2-methyl-1-pentanol 26.94
    methyl formate 78.77
    2-methyl-1-butanol 25.61
    n-decane 6.47
    butyronitrile 40.44
    3,7-dimethyl-1-octanol 28.89
    1-chlorooctane 37.79
    1-chlorotetradecane 11.02
    n-nonane 6.1
    undecane 3.91
    tert-butylcyclohexane 11.14
    cyclooctane 10.01
    cyclopentanol 59.15
    tetrahydropyran 135.66
    tert-amyl methyl ether 90.29
    2,5,8-trioxanonane 168.57
    1-hexene 23.94
    2-isopropoxyethanol 52.08
    2,2,2-trifluoroethanol 88.35
    methyl butyrate 201.63

    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