Trimethylolpropane triisostearate

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  • Identifiers

    CAS number
    68541-50-4

    Molecular formula
    C60H116O6

    SMILES
    CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C

  • Odor profile

    Waxy 71.48%
    Fatty 49.46%
    Oily 42.05%
    Odorless 36.75%
    Woody 25.75%
    Balsamic 20.75%
    Creamy 19.5%
    Amber 18.2%
    Alcoholic 18.05%
    Sweet 17.25%

    Scent© AI

  • Properties

    XLogP3-AA
    25.3

    Molecular weight
    933.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    635°C

    Flash point est.
    298.72 ˚C

  • Synonyms

    • Trimethylolpropane triisostearate
    • 68541-50-4
    • Y32A6D7C6L
    • CRODAMOL TTIS
    • PELEMOL TMPIS
    • KAK TTI
    • HEST T-3IS
    • SALACOS 6318V
    • COSMOL 6318V
    • SALACOS 6318
    • NIKKOL TRIALAN-318H
    • DTXSID8071645
    • 2,2-bis(16-methylheptadecanoyloxymethyl)butyl 16-methylheptadecanoate
    • NS-318
    • AEC TRIMETHYLOLPROPANE TRIISOSTEARATE
    • TRIMETHYLOLPROPANE TRIISOOCTADECANOATE
    • 2-Ethyl-2-(((1-oxoisooctadecyl)oxy)methyl)-1,3-propanediyl bis(isooctadecanoate)
    • 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl bis(isooctadecanoate)
    • Isooctadecanoic acid, 1,1'-(2-ethyl-2-(((1-oxoisooctadecyl)oxy)methyl)-1,3-propanediyl) ester
    • Isooctadecanoic acid, 2-ethyl-2-(((1-oxoisooctadecyl)oxy)methyl)-1,3-propanediyl ester
    • Isooctadecanoic acid, 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl ester
    • 1,1,1-Trimethylolpropane triisostearate
    • UNII-Y32A6D7C6L
    • Isooctadecanoic acid, 1,1'-[2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl] ester
    • EINECS 271-347-5
    • EC 271-347-5
    • SCHEMBL3289170
    • DTXCID8046115
    • RKJGFHYCZPZJPE-UHFFFAOYSA-N
    • 2-Ethyl-2-(((oxoisooctadecyl)oxy)methyl)-1,3-propanediyl isooctadecanoate
    • NS00007167
    • TRIMETHYLOLPROPANE TRIISOSTEARATE [INCI]
    • Q27294200
    • Isooctadecanoic acid, 2-ethyl-2-(1-oxoisooctadecyl)oxymethyl-1,3-propanediyl ester
    • 2-Ethyl-2-(((16-methylheptadecanoyl)oxy)methyl)propane-1,3-diyl bis(16-methylheptadecanoate)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.74
    methanol 31.51
    isopropanol 33.93
    water 0.48
    ethyl acetate 267.06
    n-propanol 50.24
    acetone 198.66
    n-butanol 45.34
    acetonitrile 63.85
    DMF 272.71
    toluene 139.82
    isobutanol 49.66
    1,4-dioxane 184.02
    methyl acetate 181.03
    THF 501.58
    2-butanone 236.28
    n-pentanol 51.93
    sec-butanol 61.07
    n-hexane 17.19
    ethylene glycol 5.12
    NMP 987.98
    cyclohexane 35.44
    DMSO 220.26
    n-butyl acetate 179.49
    n-octanol 61.25
    chloroform 847.17
    n-propyl acetate 235.98
    acetic acid 165.71
    dichloromethane 735.44
    cyclohexanone 565.78
    propylene glycol 16.98
    isopropyl acetate 248.16
    DMAc 640.13
    2-ethoxyethanol 112.0
    isopentanol 53.33
    n-heptane 13.34
    ethyl formate 121.53
    1,2-dichloroethane 373.49
    n-hexanol 38.11
    2-methoxyethanol 103.98
    isobutyl acetate 173.53
    tetrachloromethane 164.89
    n-pentyl acetate 344.3
    transcutol 491.2
    n-heptanol 55.23
    ethylbenzene 88.81
    MIBK 185.79
    2-propoxyethanol 116.75
    tert-butanol 55.79
    MTBE 118.38
    2-butoxyethanol 165.75
    propionic acid 136.19
    o-xylene 127.22
    formic acid 43.44
    diethyl ether 85.29
    m-xylene 109.07
    p-xylene 131.1
    chlorobenzene 258.87
    dimethyl carbonate 152.54
    n-octane 8.92
    formamide 72.91
    cyclopentanone 709.7
    2-pentanone 214.25
    anisole 150.83
    cyclopentyl methyl ether 323.95
    gamma-butyrolactone 835.89
    1-methoxy-2-propanol 136.46
    pyridine 301.58
    3-pentanone 225.4
    furfural 544.06
    n-dodecane 5.08
    diethylene glycol 43.29
    diisopropyl ether 54.47
    tert-amyl alcohol 90.5
    acetylacetone 405.07
    n-hexadecane 6.08
    acetophenone 254.78
    methyl propionate 256.34
    isopentyl acetate 188.11
    trichloroethylene 991.52
    n-nonanol 63.68
    cyclohexanol 114.6
    benzyl alcohol 103.31
    2-ethylhexanol 47.56
    isooctanol 61.72
    dipropyl ether 95.58
    1,2-dichlorobenzene 330.1
    ethyl lactate 119.11
    propylene carbonate 483.97
    n-methylformamide 119.46
    2-pentanol 48.77
    n-pentane 11.17
    1-propoxy-2-propanol 133.86
    1-methoxy-2-propyl acetate 248.02
    2-(2-methoxypropoxy) propanol 167.94
    mesitylene 78.73
    ε-caprolactone 625.58
    p-cymene 64.82
    epichlorohydrin 606.83
    1,1,1-trichloroethane 576.88
    2-aminoethanol 20.08
    morpholine-4-carbaldehyde 470.96
    sulfolane 1179.83
    2,2,4-trimethylpentane 17.26
    2-methyltetrahydrofuran 363.24
    n-hexyl acetate 300.39
    isooctane 8.24
    2-(2-butoxyethoxy)ethanol 190.4
    sec-butyl acetate 207.54
    tert-butyl acetate 328.56
    decalin 27.71
    glycerin 32.53
    diglyme 445.75
    acrylic acid 120.0
    isopropyl myristate 88.65
    n-butyric acid 223.06
    acetyl acetate 249.61
    di(2-ethylhexyl) phthalate 103.13
    ethyl propionate 239.94
    nitromethane 362.54
    1,2-diethoxyethane 194.89
    benzonitrile 136.61
    trioctyl phosphate 66.65
    1-bromopropane 184.33
    gamma-valerolactone 882.85
    n-decanol 38.1
    triethyl phosphate 136.67
    4-methyl-2-pentanol 42.86
    propionitrile 75.87
    vinylene carbonate 416.28
    1,1,2-trichlorotrifluoroethane 489.03
    DMS 245.5
    cumene 64.86
    2-octanol 56.74
    2-hexanone 201.77
    octyl acetate 117.06
    limonene 92.26
    1,2-dimethoxyethane 202.19
    ethyl orthosilicate 124.32
    tributyl phosphate 92.18
    diacetone alcohol 253.9
    N,N-dimethylaniline 131.46
    acrylonitrile 92.53
    aniline 122.92
    1,3-propanediol 34.73
    bromobenzene 320.97
    dibromomethane 418.36
    1,1,2,2-tetrachloroethane 850.3
    2-methyl-cyclohexyl acetate 195.05
    tetrabutyl urea 131.83
    diisobutyl methanol 36.35
    2-phenylethanol 81.99
    styrene 96.15
    dioctyl adipate 163.18
    dimethyl sulfate 370.43
    ethyl butyrate 203.03
    methyl lactate 136.88
    butyl lactate 249.26
    diethyl carbonate 128.41
    propanediol butyl ether 139.08
    triethyl orthoformate 179.08
    p-tert-butyltoluene 63.18
    methyl 4-tert-butylbenzoate 345.98
    morpholine 233.82
    tert-butylamine 36.49
    n-dodecanol 24.41
    dimethoxymethane 190.39
    ethylene carbonate 342.26
    cyrene 237.07
    2-ethoxyethyl acetate 406.39
    2-ethylhexyl acetate 171.35
    1,2,4-trichlorobenzene 456.23
    4-methylpyridine 301.84
    dibutyl ether 109.12
    2,6-dimethyl-4-heptanol 36.35
    DEF 305.17
    dimethyl isosorbide 405.4
    tetrachloroethylene 516.5
    eugenol 214.67
    triacetin 444.54
    span 80 164.63
    1,4-butanediol 20.39
    1,1-dichloroethane 368.68
    2-methyl-1-pentanol 64.24
    methyl formate 117.33
    2-methyl-1-butanol 64.5
    n-decane 12.58
    butyronitrile 70.86
    3,7-dimethyl-1-octanol 65.15
    1-chlorooctane 68.26
    1-chlorotetradecane 19.46
    n-nonane 11.8
    undecane 7.45
    tert-butylcyclohexane 22.4
    cyclooctane 16.83
    cyclopentanol 125.46
    tetrahydropyran 246.91
    tert-amyl methyl ether 148.92
    2,5,8-trioxanonane 227.85
    1-hexene 48.37
    2-isopropoxyethanol 109.66
    2,2,2-trifluoroethanol 115.16
    methyl butyrate 296.61

    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