Triisostearyl Citrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    113431-54-2

    Molecular formula
    C60H116O7

    SMILES
    CC(C)CCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCC(C)C)(C(=O)OCCCCCCCCCCCCCCCC(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 70.06%
    Fatty 45.67%
    Oily 40.39%
    Odorless 37.46%
    Woody 23.97%
    Balsamic 23.7%
    Sweet 20.66%
    Amber 18.71%
    Creamy 18.15%
    Sandalwood 18.03%

     

    Flavor
    Waxy 43.18%
    Mild 41.99%
    Bland 40.04%
    Oily 36.33%
    Fatty 34.24%
    Faint 32.22%
    Odorless 26.38%
    Slightly waxy 24.03%
    Fat 22.65%
    Delicate 22.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    24.6

    pKa est.
    6.37 (neutral)

    Molecular weight
    949.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    715°C

    Flash point

    • 268.99 ˚C est.

  • Synonyms

    • Triisostearyl citrate
    • Pelemol TISC
    • 113431-54-2
    • Schercemol TISC ester
    • Citric acid, triisostearyl ester
    • UNII-50XT325OOH
    • 50XT325OOH
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triisooctadecyl ester
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triisooctadecyl ester
    • DTXSID40150412
    • RefChem:191705
    • DTXCID3072903
    • TRIISOSTEARYL CITRATE [INCI]
    • tris(16-methylheptadecyl) 2-hydroxypropane-1,2,3-tricarboxylate
    • SCHEMBL28385758
    • ICWQKCGSIHTZNI-UHFFFAOYSA-N
    • Q27260834
    • 1,2,3-Propanetricarboxylicacid,2-hydroxy-,1,2,3-triisooctadecyl ester
    • 113431-54-2

  • Applications

    Triisostearyl citrate is a citrate triester primarily used as a bio-based plasticizer for PVC and other polymers, enhancing flexibility in coatings, films, and adhesives. It also serves as a solvent and emollient in cosmetic and personal care formulations, particularly for lipid-rich or oil-based systems. In coatings, inks, and adhesives processing, it functions as a processing aid and plasticizer to improve workability and formulation compatibility. In perfumery and fragrance applications, it can act as a fixative to extend fragrance duration. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.52
    methanol 34.62
    isopropanol 35.41
    water 0.33
    ethyl acetate 405.54
    n-propanol 59.85
    acetone 233.98
    n-butanol 53.03
    acetonitrile 69.89
    DMF 551.23
    toluene 201.77
    isobutanol 52.79
    1,4-dioxane 257.57
    methyl acetate 296.64
    THF 764.65
    2-butanone 326.67
    n-pentanol 52.12
    sec-butanol 70.51
    n-hexane 20.19
    ethylene glycol 6.64
    NMP 2015.89
    cyclohexane 46.56
    DMSO 398.4
    n-butyl acetate 248.56
    n-octanol 58.14
    chloroform 1187.46
    n-propyl acetate 290.05
    acetic acid 243.99
    dichloromethane 1108.03
    cyclohexanone 770.98
    propylene glycol 21.47
    isopropyl acetate 334.39
    DMAc 1304.2
    2-ethoxyethanol 136.78
    isopentanol 55.66
    n-heptane 15.89
    ethyl formate 166.87
    1,2-dichloroethane 562.24
    n-hexanol 41.59
    2-methoxyethanol 149.58
    isobutyl acetate 188.15
    tetrachloromethane 219.25
    n-pentyl acetate 398.4
    transcutol 620.02
    n-heptanol 53.26
    ethylbenzene 111.79
    MIBK 219.99
    2-propoxyethanol 153.25
    tert-butanol 56.17
    MTBE 155.17
    2-butoxyethanol 190.37
    propionic acid 196.16
    o-xylene 180.06
    formic acid 63.66
    diethyl ether 122.71
    m-xylene 146.13
    p-xylene 144.17
    chlorobenzene 346.01
    dimethyl carbonate 275.24
    n-octane 9.3
    formamide 113.19
    cyclopentanone 1092.99
    2-pentanone 302.85
    anisole 218.91
    cyclopentyl methyl ether 501.71
    gamma-butyrolactone 1380.36
    1-methoxy-2-propanol 190.17
    pyridine 436.6
    3-pentanone 349.03
    furfural 861.52
    n-dodecane 4.91
    diethylene glycol 54.85
    diisopropyl ether 69.65
    tert-amyl alcohol 108.36
    acetylacetone 579.66
    n-hexadecane 6.04
    acetophenone 358.4
    methyl propionate 436.65
    isopentyl acetate 248.66
    trichloroethylene 1582.16
    n-nonanol 61.88
    cyclohexanol 142.95
    benzyl alcohol 126.39
    2-ethylhexanol 52.91
    isooctanol 59.37
    dipropyl ether 124.65
    1,2-dichlorobenzene 479.69
    ethyl lactate 169.91
    propylene carbonate 803.23
    n-methylformamide 213.93
    2-pentanol 58.56
    n-pentane 15.09
    1-propoxy-2-propanol 176.13
    1-methoxy-2-propyl acetate 386.58
    2-(2-methoxypropoxy) propanol 215.26
    mesitylene 94.23
    ε-caprolactone 915.32
    p-cymene 78.96
    epichlorohydrin 1031.72
    1,1,1-trichloroethane 818.72
    2-aminoethanol 25.67
    morpholine-4-carbaldehyde 846.02
    sulfolane 2212.61
    2,2,4-trimethylpentane 23.62
    2-methyltetrahydrofuran 567.27
    n-hexyl acetate 363.99
    isooctane 9.9
    2-(2-butoxyethoxy)ethanol 237.09
    sec-butyl acetate 268.56
    tert-butyl acetate 439.71
    decalin 34.63
    glycerin 44.07
    diglyme 577.65
    acrylic acid 180.94
    isopropyl myristate 102.55
    n-butyric acid 321.0
    acetyl acetate 388.9
    di(2-ethylhexyl) phthalate 116.97
    ethyl propionate 336.26
    nitromethane 625.63
    1,2-diethoxyethane 225.23
    benzonitrile 164.62
    trioctyl phosphate 74.66
    1-bromopropane 251.49
    gamma-valerolactone 1341.25
    n-decanol 35.94
    triethyl phosphate 200.98
    4-methyl-2-pentanol 45.18
    propionitrile 85.88
    vinylene carbonate 643.99
    1,1,2-trichlorotrifluoroethane 873.52
    DMS 387.24
    cumene 77.11
    2-octanol 52.07
    2-hexanone 222.29
    octyl acetate 140.18
    limonene 136.52
    1,2-dimethoxyethane 260.87
    ethyl orthosilicate 177.9
    tributyl phosphate 109.99
    diacetone alcohol 333.28
    N,N-dimethylaniline 192.95
    acrylonitrile 123.25
    aniline 176.39
    1,3-propanediol 42.42
    bromobenzene 454.84
    dibromomethane 579.8
    1,1,2,2-tetrachloroethane 1424.44
    2-methyl-cyclohexyl acetate 257.26
    tetrabutyl urea 165.88
    diisobutyl methanol 41.5
    2-phenylethanol 97.81
    styrene 125.05
    dioctyl adipate 199.68
    dimethyl sulfate 780.99
    ethyl butyrate 284.29
    methyl lactate 227.48
    butyl lactate 315.65
    diethyl carbonate 184.08
    propanediol butyl ether 156.44
    triethyl orthoformate 251.79
    p-tert-butyltoluene 80.07
    methyl 4-tert-butylbenzoate 461.38
    morpholine 374.84
    tert-butylamine 37.3
    n-dodecanol 23.23
    dimethoxymethane 297.48
    ethylene carbonate 509.24
    cyrene 317.83
    2-ethoxyethyl acetate 540.2
    2-ethylhexyl acetate 226.86
    1,2,4-trichlorobenzene 713.81
    4-methylpyridine 439.33
    dibutyl ether 115.15
    2,6-dimethyl-4-heptanol 41.5
    DEF 524.5
    dimethyl isosorbide 587.7
    tetrachloroethylene 754.51
    eugenol 272.01
    triacetin 637.9
    span 80 206.99
    1,4-butanediol 22.22
    1,1-dichloroethane 493.18
    2-methyl-1-pentanol 63.58
    methyl formate 196.79
    2-methyl-1-butanol 73.84
    n-decane 12.47
    butyronitrile 82.52
    3,7-dimethyl-1-octanol 66.92
    1-chlorooctane 74.53
    1-chlorotetradecane 20.72
    n-nonane 11.5
    undecane 7.22
    tert-butylcyclohexane 27.01
    cyclooctane 21.88
    cyclopentanol 180.95
    tetrahydropyran 345.45
    tert-amyl methyl ether 222.76
    2,5,8-trioxanonane 308.67
    1-hexene 56.01
    2-isopropoxyethanol 121.7
    2,2,2-trifluoroethanol 178.18
    methyl butyrate 411.86

    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