Trihydroxystearin

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  • Identifiers

    CAS number
    139-44-6

    Molecular formula
    C57H110O9

    SMILES
    CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 51.74%
    Fatty 48.18%
    Waxy 45.34%
    Odorless 36.19%
    Fruity 31.37%
    Fresh 26.6%
    Peach 26.12%
    Sweet 25.62%
    Lactonic 25.32%
    Buttery 24.31%

     

    Flavor
    Waxy 44.99%
    Fatty 40.92%
    Mild 39.9%
    Oily 39.54%
    Bland 35.12%
    Odorless 29.36%
    Faint 27.78%
    Soapy 26.22%
    Fat 25.16%
    Slightly waxy 23.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.5

    pKa est.
    10.76 (weak base)

    Molecular weight
    939.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1657°C

    Flash point

    • 299.7 ˚C est.

  • Synonyms

    • Trihydroxystearin
    • 139-44-6
    • 1,2,3-Propanetriyl tris(12-hydroxyoctadecanoate)
    • CUTINA BW
    • Glyceryl tri(12-hydroxystearate)
    • NSC-2389
    • 06YD7896S3
    • Octadecanoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester
    • DTXSID3051701
    • Octadecanoic acid, 12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester
    • RefChem:1100439
    • DTXCID9030256
    • 205-364-6
    • Glyceryl tris(12-hydroxystearate)
    • Thixin R
    • Thixcin R
    • Tri-12-hydroxystearin
    • 2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate
    • Glycerol tris(12-hydroxystearate)
    • Thixcin E
    • Trixcin R
    • Tixcin R
    • 12-Hydroxystearic acid triglyceride
    • Octadecanoic acid, 12-hydroxy-, triester with glycerol
    • 12-Hydroxyoctadecanoic acid, glyceryl ester
    • 12-Hydroxyoctadecanoic acid, triester with glycerol
    • NSC2389
    • Propane-1,2,3-triyl tris(12-hydroxyoctadecanoate)
    • UNII-06YD7896S3
    • NSC 2389
    • EINECS 205-364-6
    • Olio di ricino idrogenato [Italian]
    • C57H110O9
    • AI3-19740
    • SCHEMBL296177
    • TRIHYDROXYSTEARIN [II]
    • SCHEMBL29007653
    • WCOXQTXVACYMLM-UHFFFAOYSA-N
    • Octadecanoic acid, triester with glycerol
    • FH164957
    • NS00014172
    • Propane-1,2,3-triyltris(12-hydroxyoctadecanoate)
    • Octadecanoic acid, 12-hydroxy-, 1,2, 3-propanetriyl ester
    • 2,3-Bis((12-hydroxyoctadecanoyl)oxy)propyl 12-hydroxyoctadecanoate
    • 139-44-6

  • Applications

    Trihydroxystearin (CAS 139-44-6) is commonly used as a thickener and rheology modifier in cosmetics and personal care, where it helps create gel-like textures and higher viscosity in creams, lotions, and makeup formulations; it also functions as a stabilizer and gelling agent in coatings, paints, inks, and adhesives to improve viscosity control and product stability; in polymer and plastics formulations it can act as a processing aid or softening/compatibilizing modifier; and in some household cleaning and industrial formulations it may be used as a thickener or texture enhancer to improve application and residue behavior.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.08
    methanol 11.87
    isopropanol 7.05
    water 0.17
    ethyl acetate 56.47
    n-propanol 12.7
    acetone 43.91
    n-butanol 11.01
    acetonitrile 12.55
    DMF 138.62
    toluene 22.75
    isobutanol 9.7
    1,4-dioxane 62.56
    methyl acetate 50.84
    THF 166.31
    2-butanone 61.24
    n-pentanol 11.25
    sec-butanol 14.38
    n-hexane 2.53
    ethylene glycol 2.52
    NMP 475.15
    cyclohexane 5.65
    DMSO 161.74
    n-butyl acetate 37.22
    n-octanol 14.52
    chloroform 146.67
    n-propyl acetate 43.28
    acetic acid 67.92
    dichloromethane 139.81
    cyclohexanone 139.97
    propylene glycol 6.5
    isopropyl acetate 46.83
    DMAc 357.6
    2-ethoxyethanol 39.63
    isopentanol 10.22
    n-heptane 2.18
    ethyl formate 35.5
    1,2-dichloroethane 75.96
    n-hexanol 8.45
    2-methoxyethanol 43.86
    isobutyl acetate 24.21
    tetrachloromethane 27.88
    n-pentyl acetate 66.55
    transcutol 183.63
    n-heptanol 11.9
    ethylbenzene 15.23
    MIBK 32.11
    2-propoxyethanol 36.21
    tert-butanol 10.95
    MTBE 25.96
    2-butoxyethanol 47.22
    propionic acid 43.4
    o-xylene 25.27
    formic acid 22.28
    diethyl ether 19.07
    m-xylene 16.49
    p-xylene 19.45
    chlorobenzene 39.35
    dimethyl carbonate 50.44
    n-octane 1.49
    formamide 34.43
    cyclopentanone 191.21
    2-pentanone 49.99
    anisole 32.59
    cyclopentyl methyl ether 74.69
    gamma-butyrolactone 263.83
    1-methoxy-2-propanol 42.21
    pyridine 74.33
    3-pentanone 58.92
    furfural 182.52
    n-dodecane 0.92
    diethylene glycol 17.01
    diisopropyl ether 9.09
    tert-amyl alcohol 20.98
    acetylacetone 98.17
    n-hexadecane 1.09
    acetophenone 61.61
    methyl propionate 68.27
    isopentyl acetate 36.73
    trichloroethylene 186.31
    n-nonanol 15.3
    cyclohexanol 24.91
    benzyl alcohol 22.96
    2-ethylhexanol 9.03
    isooctanol 10.86
    dipropyl ether 19.65
    1,2-dichlorobenzene 55.25
    ethyl lactate 36.14
    propylene carbonate 145.84
    n-methylformamide 49.98
    2-pentanol 9.87
    n-pentane 1.71
    1-propoxy-2-propanol 36.74
    1-methoxy-2-propyl acetate 64.88
    2-(2-methoxypropoxy) propanol 59.24
    mesitylene 10.95
    ε-caprolactone 180.49
    p-cymene 10.68
    epichlorohydrin 183.83
    1,1,1-trichloroethane 92.86
    2-aminoethanol 7.78
    morpholine-4-carbaldehyde 218.8
    sulfolane 506.4
    2,2,4-trimethylpentane 2.65
    2-methyltetrahydrofuran 100.11
    n-hexyl acetate 65.68
    isooctane 0.95
    2-(2-butoxyethoxy)ethanol 66.52
    sec-butyl acetate 36.59
    tert-butyl acetate 60.99
    decalin 4.18
    glycerin 14.27
    diglyme 154.02
    acrylic acid 43.31
    isopropyl myristate 18.64
    n-butyric acid 62.89
    acetyl acetate 56.99
    di(2-ethylhexyl) phthalate 24.21
    ethyl propionate 50.65
    nitromethane 141.15
    1,2-diethoxyethane 52.06
    benzonitrile 24.92
    trioctyl phosphate 16.29
    1-bromopropane 32.58
    gamma-valerolactone 293.47
    n-decanol 8.98
    triethyl phosphate 39.45
    4-methyl-2-pentanol 7.05
    propionitrile 14.95
    vinylene carbonate 119.87
    1,1,2-trichlorotrifluoroethane 184.32
    DMS 65.92
    cumene 10.79
    2-octanol 10.6
    2-hexanone 41.87
    octyl acetate 27.57
    limonene 19.03
    1,2-dimethoxyethane 73.89
    ethyl orthosilicate 34.28
    tributyl phosphate 23.68
    diacetone alcohol 59.1
    N,N-dimethylaniline 32.09
    acrylonitrile 21.5
    aniline 25.77
    1,3-propanediol 12.52
    bromobenzene 44.16
    dibromomethane 72.31
    1,1,2,2-tetrachloroethane 181.6
    2-methyl-cyclohexyl acetate 40.91
    tetrabutyl urea 38.73
    diisobutyl methanol 6.64
    2-phenylethanol 18.1
    styrene 16.36
    dioctyl adipate 41.02
    dimethyl sulfate 157.56
    ethyl butyrate 43.25
    methyl lactate 51.6
    butyl lactate 60.35
    diethyl carbonate 30.06
    propanediol butyl ether 42.86
    triethyl orthoformate 45.38
    p-tert-butyltoluene 10.63
    methyl 4-tert-butylbenzoate 89.34
    morpholine 85.71
    tert-butylamine 6.56
    n-dodecanol 5.65
    dimethoxymethane 65.29
    ethylene carbonate 94.73
    cyrene 83.17
    2-ethoxyethyl acetate 105.21
    2-ethylhexyl acetate 33.17
    1,2,4-trichlorobenzene 82.58
    4-methylpyridine 63.21
    dibutyl ether 23.01
    2,6-dimethyl-4-heptanol 6.64
    DEF 97.89
    dimethyl isosorbide 129.32
    tetrachloroethylene 105.74
    eugenol 58.04
    triacetin 123.76
    span 80 48.79
    1,4-butanediol 6.51
    1,1-dichloroethane 59.89
    2-methyl-1-pentanol 12.94
    methyl formate 46.49
    2-methyl-1-butanol 13.49
    n-decane 2.29
    butyronitrile 13.75
    3,7-dimethyl-1-octanol 12.84
    1-chlorooctane 13.63
    1-chlorotetradecane 3.77
    n-nonane 2.02
    undecane 1.35
    tert-butylcyclohexane 2.99
    cyclooctane 2.52
    cyclopentanol 33.25
    tetrahydropyran 61.24
    tert-amyl methyl ether 36.74
    2,5,8-trioxanonane 91.87
    1-hexene 8.01
    2-isopropoxyethanol 28.97
    2,2,2-trifluoroethanol 47.9
    methyl butyrate 66.81

    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