Triisocetyl Citrate

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  • Identifiers

    CAS number
    93385-14-9

    Molecular formula
    C54H104O7

    SMILES
    CC(C)CCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCC(C)C)(C(=O)OCCCCCCCCCCCCCC(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 66.71%
    Fatty 42.28%
    Oily 40.14%
    Odorless 37.88%
    Woody 25.98%
    Balsamic 25.02%
    Sweet 21.79%
    Amber 19.84%
    Sandalwood 19.65%
    Alcoholic 18.81%

     

    Flavor
    Waxy 42.31%
    Mild 42.25%
    Bland 39.65%
    Oily 38.19%
    Fatty 34.02%
    Faint 31.54%
    Odorless 26.45%
    Slightly waxy 23.93%
    Beer 22.48%
    Delicate 22.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.4

    pKa est.
    8.14 (weak base)

    Molecular weight
    865.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    699°C

    Flash point

    • 262.08 ˚C est.

  • Synonyms

    • Triisocetyl citrate
    • 93385-14-9
    • Jeechem TISC
    • Citmol 316
    • Triisohexadecyl citrate
    • UNII-0ZRR29B77H
    • 0ZRR29B77H
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triisohexadecyl ester
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triisohexadecyl ester
    • DTXSID901018285
    • RefChem:191692
    • DTXCID501476508
    • TRIISOCETYL CITRATE [INCI]
    • tris(14-methylpentadecyl) 2-hydroxypropane-1,2,3-tricarboxylate
    • SCHEMBL239649
    • orb1985235
    • COXJMKGEQAWXNP-UHFFFAOYSA-N
    • AKOS040754259
    • Q27251079
    • 93385-14-9

  • Applications

    Triisocetyl Citrate (CAS 93385-14-9) is primarily used as a non-phthalate plasticizer for PVC and other polymers, providing flexibility and processability at moderate levels. It also functions as a processing aid and co-solvent in coatings, paints, and inks, improving application and film formation. It may be used as a plasticizer component in adhesive formulations to tailor flow and performance. In cosmetics and personal care, it may serve as a solvent or plasticizer in certain formulations, and in household products and cleaners it can act as a solvent or formulation additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.38
    methanol 39.55
    isopropanol 40.89
    water 0.35
    ethyl acetate 448.95
    n-propanol 68.57
    acetone 261.51
    n-butanol 60.69
    acetonitrile 78.44
    DMF 616.25
    toluene 217.15
    isobutanol 60.41
    1,4-dioxane 277.61
    methyl acetate 330.26
    THF 820.55
    2-butanone 362.08
    n-pentanol 58.16
    sec-butanol 80.96
    n-hexane 21.58
    ethylene glycol 7.51
    NMP 2194.9
    cyclohexane 48.55
    DMSO 444.84
    n-butyl acetate 268.09
    n-octanol 62.84
    chloroform 1293.03
    n-propyl acetate 314.21
    acetic acid 278.09
    dichloromethane 1222.15
    cyclohexanone 826.68
    propylene glycol 24.46
    isopropyl acetate 363.59
    DMAc 1448.11
    2-ethoxyethanol 152.16
    isopentanol 63.12
    n-heptane 16.47
    ethyl formate 183.11
    1,2-dichloroethane 622.36
    n-hexanol 45.88
    2-methoxyethanol 170.24
    isobutyl acetate 203.1
    tetrachloromethane 235.87
    n-pentyl acetate 423.28
    transcutol 680.54
    n-heptanol 57.9
    ethylbenzene 118.8
    MIBK 238.93
    2-propoxyethanol 168.06
    tert-butanol 63.52
    MTBE 172.75
    2-butoxyethanol 208.4
    propionic acid 221.2
    o-xylene 193.09
    formic acid 72.26
    diethyl ether 135.18
    m-xylene 154.66
    p-xylene 153.56
    chlorobenzene 372.0
    dimethyl carbonate 299.96
    n-octane 9.59
    formamide 129.22
    cyclopentanone 1166.22
    2-pentanone 333.23
    anisole 235.42
    cyclopentyl methyl ether 536.43
    gamma-butyrolactone 1478.65
    1-methoxy-2-propanol 214.76
    pyridine 472.56
    3-pentanone 378.79
    furfural 925.97
    n-dodecane 5.06
    diethylene glycol 60.65
    diisopropyl ether 74.71
    tert-amyl alcohol 122.77
    acetylacetone 622.58
    n-hexadecane 6.24
    acetophenone 385.35
    methyl propionate 480.38
    isopentyl acetate 267.18
    trichloroethylene 1740.71
    n-nonanol 66.74
    cyclohexanol 156.56
    benzyl alcohol 138.58
    2-ethylhexanol 56.96
    isooctanol 64.34
    dipropyl ether 131.14
    1,2-dichlorobenzene 511.72
    ethyl lactate 182.51
    propylene carbonate 862.43
    n-methylformamide 240.68
    2-pentanol 66.09
    n-pentane 16.21
    1-propoxy-2-propanol 189.09
    1-methoxy-2-propyl acetate 415.9
    2-(2-methoxypropoxy) propanol 232.08
    mesitylene 98.77
    ε-caprolactone 980.6
    p-cymene 82.39
    epichlorohydrin 1126.65
    1,1,1-trichloroethane 883.71
    2-aminoethanol 29.47
    morpholine-4-carbaldehyde 918.89
    sulfolane 2340.89
    2,2,4-trimethylpentane 24.93
    2-methyltetrahydrofuran 614.66
    n-hexyl acetate 391.0
    isooctane 10.26
    2-(2-butoxyethoxy)ethanol 256.93
    sec-butyl acetate 289.55
    tert-butyl acetate 469.26
    decalin 36.09
    glycerin 49.89
    diglyme 626.83
    acrylic acid 203.26
    isopropyl myristate 109.09
    n-butyric acid 359.05
    acetyl acetate 422.03
    di(2-ethylhexyl) phthalate 124.19
    ethyl propionate 361.05
    nitromethane 698.55
    1,2-diethoxyethane 240.45
    benzonitrile 178.14
    trioctyl phosphate 79.94
    1-bromopropane 274.44
    gamma-valerolactone 1442.07
    n-decanol 38.65
    triethyl phosphate 211.33
    4-methyl-2-pentanol 49.37
    propionitrile 94.8
    vinylene carbonate 685.59
    1,1,2-trichlorotrifluoroethane 953.11
    DMS 412.71
    cumene 81.73
    2-octanol 56.08
    2-hexanone 240.44
    octyl acetate 150.01
    limonene 143.16
    1,2-dimethoxyethane 283.91
    ethyl orthosilicate 185.81
    tributyl phosphate 117.01
    diacetone alcohol 362.39
    N,N-dimethylaniline 206.72
    acrylonitrile 136.59
    aniline 193.02
    1,3-propanediol 48.64
    bromobenzene 481.78
    dibromomethane 635.15
    1,1,2,2-tetrachloroethane 1553.78
    2-methyl-cyclohexyl acetate 271.0
    tetrabutyl urea 175.16
    diisobutyl methanol 43.55
    2-phenylethanol 105.83
    styrene 134.68
    dioctyl adipate 211.44
    dimethyl sulfate 846.89
    ethyl butyrate 299.92
    methyl lactate 248.69
    butyl lactate 336.0
    diethyl carbonate 195.47
    propanediol butyl ether 172.04
    triethyl orthoformate 262.08
    p-tert-butyltoluene 82.78
    methyl 4-tert-butylbenzoate 487.13
    morpholine 412.28
    tert-butylamine 41.76
    n-dodecanol 24.88
    dimethoxymethane 326.32
    ethylene carbonate 542.52
    cyrene 335.38
    2-ethoxyethyl acetate 576.21
    2-ethylhexyl acetate 242.06
    1,2,4-trichlorobenzene 767.92
    4-methylpyridine 480.79
    dibutyl ether 121.41
    2,6-dimethyl-4-heptanol 43.55
    DEF 578.03
    dimethyl isosorbide 619.79
    tetrachloroethylene 828.96
    eugenol 289.13
    triacetin 670.66
    span 80 221.09
    1,4-butanediol 24.99
    1,1-dichloroethane 541.62
    2-methyl-1-pentanol 70.5
    methyl formate 217.42
    2-methyl-1-butanol 83.4
    n-decane 12.82
    butyronitrile 92.23
    3,7-dimethyl-1-octanol 72.09
    1-chlorooctane 79.09
    1-chlorotetradecane 21.84
    n-nonane 11.84
    undecane 7.45
    tert-butylcyclohexane 28.14
    cyclooctane 22.48
    cyclopentanol 198.53
    tetrahydropyran 370.89
    tert-amyl methyl ether 243.77
    2,5,8-trioxanonane 332.98
    1-hexene 60.81
    2-isopropoxyethanol 133.64
    2,2,2-trifluoroethanol 201.69
    methyl butyrate 444.05

    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