Ditrimethylolpropane isostearate/sebacate

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  • Identifiers

    CAS number
    736929-16-1

    Molecular formula
    C70H134O14

    SMILES
    CCC(CO)(COCC(CC)(CO)COC(=O)CCCCCCCCC(=O)OCC(CC)(CO)COCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 37.58%
    Waxy 37.41%
    Odorless 35.09%
    Oily 35.01%
    Fatty 27.85%
    Amber 25.58%
    Sandalwood 25.14%
    Fresh 24.2%
    Fruity 23.58%
    Alcoholic 22.93%

     

    Flavor
    Waxy 44.46%
    Oily 35.91%
    Mild 34.32%
    Fruity 31.33%
    Bland 27.81%
    Fatty 26.91%
    Green 24.09%
    Soapy 23.18%
    Beer 22.37%
    Slightly rose 21.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.8

    pKa est.
    11.24 (strong base)

    Molecular weight
    1199.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2086°C

    Flash point

    • 359.65 ˚C est.

  • Synonyms

    • Salacos DT-318S
    • Ditrimethylolpropane isostearate/sebacate
    • 49F622T713
    • 736929-16-1
    • Ecanedioic acid, ester with 2,2'-(oxybis(methylene))bis(2-ethyl-1,3-propanediol) isooctadecanoate
    • 736929-16-1

  • Applications

    Ditrimethylolpropane isostearate/sebacate is used as a multifunctional polyol and plasticizer in polyester and polyurethane systems, serving as a crosslinking component and as a processing aid for resins, coatings, and adhesives; it also acts as a fatty-acid ester emollient and conditioning ingredient in cosmetics/personal care; it can function as a nonionic surfactant or emulsifier in cosmetic formulations and cleaning products; as an intermediate or building block for the synthesis of specialty esters used in coatings and inks; and as a fatty-ester component in cosmetic formulations to improve texture and glide.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.92
    methanol 40.59
    isopropanol 25.88
    water 0.26
    ethyl acetate 113.05
    n-propanol 43.37
    acetone 118.51
    n-butanol 31.29
    acetonitrile 33.74
    DMF 360.75
    toluene 84.31
    isobutanol 35.68
    1,4-dioxane 120.24
    methyl acetate 119.1
    THF 388.69
    2-butanone 145.71
    n-pentanol 33.83
    sec-butanol 43.26
    n-hexane 3.91
    ethylene glycol 9.22
    NMP 1235.38
    cyclohexane 7.95
    DMSO 289.52
    n-butyl acetate 70.66
    n-octanol 26.92
    chloroform 452.35
    n-propyl acetate 86.61
    acetic acid 271.69
    dichloromethane 349.72
    cyclohexanone 320.06
    propylene glycol 34.07
    isopropyl acetate 92.37
    DMAc 653.03
    2-ethoxyethanol 94.14
    isopentanol 30.31
    n-heptane 3.47
    ethyl formate 74.18
    1,2-dichloroethane 167.45
    n-hexanol 22.35
    2-methoxyethanol 120.28
    isobutyl acetate 56.01
    tetrachloromethane 67.39
    n-pentyl acetate 119.91
    transcutol 321.93
    n-heptanol 28.35
    ethylbenzene 36.33
    MIBK 78.69
    2-propoxyethanol 98.48
    tert-butanol 35.31
    MTBE 50.36
    2-butoxyethanol 110.13
    propionic acid 150.33
    o-xylene 67.74
    formic acid 87.06
    diethyl ether 35.23
    m-xylene 61.48
    p-xylene 47.9
    chlorobenzene 120.53
    dimethyl carbonate 130.5
    n-octane 1.99
    formamide 114.8
    cyclopentanone 472.26
    2-pentanone 115.43
    anisole 71.0
    cyclopentyl methyl ether 194.8
    gamma-butyrolactone 646.82
    1-methoxy-2-propanol 147.92
    pyridine 207.46
    3-pentanone 124.32
    furfural 467.21
    n-dodecane 1.24
    diethylene glycol 49.78
    diisopropyl ether 17.25
    tert-amyl alcohol 59.56
    acetylacetone 215.74
    n-hexadecane 1.48
    acetophenone 139.55
    methyl propionate 163.2
    isopentyl acetate 70.67
    trichloroethylene 606.6
    n-nonanol 27.95
    cyclohexanol 71.69
    benzyl alcohol 72.3
    2-ethylhexanol 20.51
    isooctanol 27.42
    dipropyl ether 32.24
    1,2-dichlorobenzene 156.53
    ethyl lactate 80.74
    propylene carbonate 331.4
    n-methylformamide 162.95
    2-pentanol 30.24
    n-pentane 3.39
    1-propoxy-2-propanol 95.17
    1-methoxy-2-propyl acetate 142.92
    2-(2-methoxypropoxy) propanol 116.24
    mesitylene 34.6
    ε-caprolactone 375.18
    p-cymene 24.17
    epichlorohydrin 458.66
    1,1,1-trichloroethane 239.3
    2-aminoethanol 29.95
    morpholine-4-carbaldehyde 512.45
    sulfolane 1191.61
    2,2,4-trimethylpentane 5.15
    2-methyltetrahydrofuran 209.71
    n-hexyl acetate 112.45
    isooctane 2.28
    2-(2-butoxyethoxy)ethanol 123.67
    sec-butyl acetate 70.6
    tert-butyl acetate 121.96
    decalin 6.79
    glycerin 66.31
    diglyme 249.55
    acrylic acid 182.5
    isopropyl myristate 28.73
    n-butyric acid 172.48
    acetyl acetate 121.97
    di(2-ethylhexyl) phthalate 49.47
    ethyl propionate 88.01
    nitromethane 385.55
    1,2-diethoxyethane 70.98
    benzonitrile 71.08
    trioctyl phosphate 32.09
    1-bromopropane 67.65
    gamma-valerolactone 677.74
    n-decanol 15.82
    triethyl phosphate 57.09
    4-methyl-2-pentanol 21.17
    propionitrile 38.94
    vinylene carbonate 308.36
    1,1,2-trichlorotrifluoroethane 570.98
    DMS 131.09
    cumene 24.15
    2-octanol 22.13
    2-hexanone 86.49
    octyl acetate 46.59
    limonene 39.2
    1,2-dimethoxyethane 113.52
    ethyl orthosilicate 49.42
    tributyl phosphate 39.86
    diacetone alcohol 162.11
    N,N-dimethylaniline 75.33
    acrylonitrile 65.32
    aniline 94.5
    1,3-propanediol 40.54
    bromobenzene 139.33
    dibromomethane 180.13
    1,1,2,2-tetrachloroethane 488.19
    2-methyl-cyclohexyl acetate 77.96
    tetrabutyl urea 59.59
    diisobutyl methanol 14.77
    2-phenylethanol 53.17
    styrene 41.7
    dioctyl adipate 64.71
    dimethyl sulfate 373.87
    ethyl butyrate 71.25
    methyl lactate 160.79
    butyl lactate 123.14
    diethyl carbonate 44.92
    propanediol butyl ether 111.99
    triethyl orthoformate 65.49
    p-tert-butyltoluene 26.29
    methyl 4-tert-butylbenzoate 196.24
    morpholine 193.86
    tert-butylamine 17.28
    n-dodecanol 9.54
    dimethoxymethane 164.8
    ethylene carbonate 208.75
    cyrene 218.45
    2-ethoxyethyl acetate 186.14
    2-ethylhexyl acetate 59.89
    1,2,4-trichlorobenzene 234.59
    4-methylpyridine 182.39
    dibutyl ether 27.96
    2,6-dimethyl-4-heptanol 14.77
    DEF 205.19
    dimethyl isosorbide 262.91
    tetrachloroethylene 293.44
    eugenol 127.21
    triacetin 221.62
    span 80 115.38
    1,4-butanediol 21.73
    1,1-dichloroethane 157.88
    2-methyl-1-pentanol 36.3
    methyl formate 140.14
    2-methyl-1-butanol 41.83
    n-decane 2.94
    butyronitrile 32.44
    3,7-dimethyl-1-octanol 27.92
    1-chlorooctane 20.09
    1-chlorotetradecane 5.42
    n-nonane 2.61
    undecane 1.78
    tert-butylcyclohexane 5.45
    cyclooctane 4.14
    cyclopentanol 105.0
    tetrahydropyran 121.27
    tert-amyl methyl ether 71.62
    2,5,8-trioxanonane 139.79
    1-hexene 15.07
    2-isopropoxyethanol 71.78
    2,2,2-trifluoroethanol 154.18
    methyl butyrate 117.78

    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