Triisononanoin

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  • Identifiers

    CAS number
    206354-95-2

    Molecular formula
    C30H56O6

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 41.7%
    Fruity 38.19%
    Floral 31.33%
    Oily 31.03%
    Herbal 30.37%
    Fatty 29.48%
    Musk 28.53%
    Dry 28.37%
    Green 27.79%
    Odorless 26.95%

     

    Flavor
    Green 39.96%
    Fruity 36.01%
    Bitter 34.97%
    Mild 29.43%
    Waxy 25.11%
    Sweet 23.05%
    Tropical 22.99%
    Light 21.17%
    Herbal 21.16%
    Heather 21.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    5.81 (weak acid)

    Molecular weight
    512.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    425°C

    Flash point

    • 188.55 ˚C est.

  • Synonyms

    • Triisononanoin
    • Isodragol
    • XF4K22WN6T
    • Propane-1,2,3-triyl 3,5,5-trimethylhexanoate
    • DUB TING
    • glycerol triisononanoate
    • 206354-95-2
    • GLYCERYL TRIISONONANOATE
    • ISODRAGOL 660061
    • Isononanoic acid, 1,2,3-propanetriyl ester
    • EINECS 260-257-1
    • Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester
    • EC 260-257-1
    • Isononanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
    • RefChem:899670
    • TRIISONONANOIN [INCI]
    • DTXSID601019177
    • 56554-53-1
    • 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate
    • UNII-XF4K22WN6T
    • propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate)
    • SCHEMBL21439838
    • DTXSID10971994
    • 1,3-bis(3,5,5-trimethylhexanoyloxy)propan-2-yl 3,5,5-trimethylhexanoate
    • DB-238149
    • NS00007671
    • Q27293817
    • 2,3-Bis[(3,5,5-trimethylhexanoyl)oxy]propyl 3,5,5-trimethylhexanoate #
    • 56554-53-1

  • Applications

    Triisononanoin (CAS 206354-95-2) is a glycerol triester of branched C9 fatty acids used primarily as a non-volatile plasticizer and processing aid in polymers and coatings, enabling flexible films and improved processability for PVC and related systems; it also serves as an emollient in cosmetics and personal care formulations; in industrial manufacturing it functions as a lubricant or lubricant additive and as a solvent component in specialty cleaners, inks, and adhesives; it is commonly evaluated as an intermediate or solvent in chemical synthesis; and it can be used to adjust rheology and film formation in adhesives and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 274.8
    methanol 385.3
    isopropanol 133.48
    water 6.66
    ethyl acetate 613.43
    n-propanol 285.77
    acetone 551.88
    n-butanol 181.37
    acetonitrile 237.52
    DMF 1846.19
    toluene 277.25
    isobutanol 198.67
    1,4-dioxane 334.16
    methyl acetate 644.02
    THF 1183.91
    2-butanone 614.86
    n-pentanol 152.86
    sec-butanol 195.01
    n-hexane 25.77
    ethylene glycol 74.9
    NMP 4573.71
    cyclohexane 23.66
    DMSO 1125.86
    n-butyl acetate 409.16
    n-octanol 112.29
    chloroform 2118.51
    n-propyl acetate 470.35
    acetic acid 1471.3
    dichloromethane 2070.24
    cyclohexanone 874.26
    propylene glycol 153.92
    isopropyl acetate 426.92
    DMAc 2740.0
    2-ethoxyethanol 398.32
    isopentanol 141.25
    n-heptane 19.04
    ethyl formate 401.54
    1,2-dichloroethane 975.08
    n-hexanol 146.25
    2-methoxyethanol 650.68
    isobutyl acetate 328.83
    tetrachloromethane 301.18
    n-pentyl acetate 409.77
    transcutol 1105.0
    n-heptanol 124.61
    ethylbenzene 132.23
    MIBK 303.9
    2-propoxyethanol 537.79
    tert-butanol 139.21
    MTBE 207.94
    2-butoxyethanol 382.84
    propionic acid 758.43
    o-xylene 208.71
    formic acid 758.16
    diethyl ether 203.69
    m-xylene 206.12
    p-xylene 180.71
    chlorobenzene 426.43
    dimethyl carbonate 548.79
    n-octane 8.45
    formamide 862.71
    cyclopentanone 1489.76
    2-pentanone 472.7
    anisole 280.56
    cyclopentyl methyl ether 716.85
    gamma-butyrolactone 2357.54
    1-methoxy-2-propanol 557.6
    pyridine 692.63
    3-pentanone 524.95
    furfural 1493.5
    n-dodecane 3.96
    diethylene glycol 251.11
    diisopropyl ether 74.07
    tert-amyl alcohol 241.13
    acetylacetone 691.9
    n-hexadecane 4.6
    acetophenone 474.57
    methyl propionate 865.25
    isopentyl acetate 377.89
    trichloroethylene 2680.13
    n-nonanol 110.88
    cyclohexanol 230.34
    benzyl alcohol 245.4
    2-ethylhexanol 125.59
    isooctanol 110.09
    dipropyl ether 185.37
    1,2-dichlorobenzene 492.11
    ethyl lactate 317.45
    propylene carbonate 1182.53
    n-methylformamide 1035.26
    2-pentanol 127.39
    n-pentane 19.67
    1-propoxy-2-propanol 412.84
    1-methoxy-2-propyl acetate 691.39
    2-(2-methoxypropoxy) propanol 440.2
    mesitylene 96.56
    ε-caprolactone 1223.7
    p-cymene 98.28
    epichlorohydrin 1949.3
    1,1,1-trichloroethane 991.75
    2-aminoethanol 222.04
    morpholine-4-carbaldehyde 1832.85
    sulfolane 3306.78
    2,2,4-trimethylpentane 22.5
    2-methyltetrahydrofuran 809.59
    n-hexyl acetate 476.52
    isooctane 8.81
    2-(2-butoxyethoxy)ethanol 418.03
    sec-butyl acetate 344.94
    tert-butyl acetate 490.82
    decalin 23.08
    glycerin 253.12
    diglyme 805.98
    acrylic acid 777.49
    isopropyl myristate 109.84
    n-butyric acid 746.31
    acetyl acetate 487.34
    di(2-ethylhexyl) phthalate 192.13
    ethyl propionate 482.91
    nitromethane 2015.58
    1,2-diethoxyethane 276.44
    benzonitrile 244.55
    trioctyl phosphate 115.16
    1-bromopropane 420.73
    gamma-valerolactone 2129.38
    n-decanol 62.3
    triethyl phosphate 248.05
    4-methyl-2-pentanol 82.21
    propionitrile 221.12
    vinylene carbonate 1023.41
    1,1,2-trichlorotrifluoroethane 1835.01
    DMS 583.02
    cumene 95.7
    2-octanol 80.34
    2-hexanone 338.62
    octyl acetate 185.54
    limonene 144.81
    1,2-dimethoxyethane 446.7
    ethyl orthosilicate 222.52
    tributyl phosphate 168.14
    diacetone alcohol 502.48
    N,N-dimethylaniline 269.92
    acrylonitrile 344.2
    aniline 342.7
    1,3-propanediol 219.63
    bromobenzene 452.38
    dibromomethane 1070.82
    1,1,2,2-tetrachloroethane 1951.37
    2-methyl-cyclohexyl acetate 373.17
    tetrabutyl urea 217.41
    diisobutyl methanol 54.4
    2-phenylethanol 228.73
    styrene 140.94
    dioctyl adipate 257.26
    dimethyl sulfate 1455.02
    ethyl butyrate 372.38
    methyl lactate 539.5
    butyl lactate 399.61
    diethyl carbonate 237.37
    propanediol butyl ether 317.97
    triethyl orthoformate 293.53
    p-tert-butyltoluene 97.9
    methyl 4-tert-butylbenzoate 621.91
    morpholine 670.76
    tert-butylamine 79.07
    n-dodecanol 35.62
    dimethoxymethane 777.26
    ethylene carbonate 745.62
    cyrene 612.46
    2-ethoxyethyl acetate 603.48
    2-ethylhexyl acetate 345.11
    1,2,4-trichlorobenzene 785.65
    4-methylpyridine 749.33
    dibutyl ether 113.49
    2,6-dimethyl-4-heptanol 54.4
    DEF 907.98
    dimethyl isosorbide 992.7
    tetrachloroethylene 1248.7
    eugenol 412.38
    triacetin 793.92
    span 80 357.12
    1,4-butanediol 93.5
    1,1-dichloroethane 795.19
    2-methyl-1-pentanol 144.37
    methyl formate 808.1
    2-methyl-1-butanol 202.7
    n-decane 11.05
    butyronitrile 177.45
    3,7-dimethyl-1-octanol 105.94
    1-chlorooctane 91.12
    1-chlorotetradecane 19.27
    n-nonane 10.82
    undecane 6.21
    tert-butylcyclohexane 24.74
    cyclooctane 12.15
    cyclopentanol 357.0
    tetrahydropyran 389.56
    tert-amyl methyl ether 305.65
    2,5,8-trioxanonane 474.52
    1-hexene 93.13
    2-isopropoxyethanol 289.76
    2,2,2-trifluoroethanol 774.35
    methyl butyrate 587.92

    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