Tricaprylyl Citrate

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  • Identifiers

    CAS number
    16502-99-1

    Molecular formula
    C30H56O7

    SMILES
    CCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC)(C(=O)OCCCCCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 54.45%
    Fruity 44.52%
    Fatty 41.95%
    Waxy 35.23%
    Lactonic 34.43%
    Peach 33.07%
    Odorless 32.84%
    Herbal 32.75%
    Winey 32.36%
    Buttery 29.23%

     

    Flavor
    Waxy 53.44%
    Oily 44.18%
    Fruity 42.54%
    Mild 36.04%
    Fatty 34.71%
    Soapy 31.52%
    Green 29.16%
    Sweet 29.09%
    Creamy 27.95%
    Wine 26.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    5.64 (weak acid)

    Molecular weight
    528.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    572°C

    Flash point

    • 205.74 ˚C est.

  • Synonyms

    • Trioctyl citrate
    • Tricaprylyl citrate
    • Bernel ester TCC
    • Tri-n-octyl citrate
    • Citric acid, trioctyl ester
    • BXW1GAI4TA
    • UNII-BXW1GAI4TA
    • Tricaprylyl citrate [INCI]
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trioctyl ester
    • DTXSID30167837
    • RefChem:190949
    • DTXCID6090328
    • 16502-99-1
    • 76414-35-2
    • SCHEMBL28058
    • APVVRLGIFCYZHJ-UHFFFAOYSA-N
    • MSK15103
    • trioctyl 2-hydroxypropane-1,2,3-tricarboxylate
    • Q27274948
    • 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester
    • 16502-99-1

  • Applications

    Tricaprylyl citrate (CAS 16502-99-1) is primarily used as an emollient and solvent in cosmetic and personal care applications, providing a light, non-greasy feel and helping to dissolve and suspend active ingredients in products such as moisturizers, creams, serums, and makeup. It is commonly employed as a carrier for fragrance oils or essential oils in perfumery formulations, offering skin-compatible solvency and a neutral odor. It may also serve as a solvent or vehicle for active pharmaceutical ingredients in topical formulations, contributing to spreadability and sensory attributes. In industrial manufacturing, it can function as a processing aid or plasticizer in certain polymer or coating systems to improve handling and application properties. Additionally, it can appear in household formulations as a lightweight emollient to deliver a non-greasy texture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.4
    methanol 83.51
    isopropanol 51.29
    water 1.04
    ethyl acetate 550.84
    n-propanol 89.18
    acetone 374.84
    n-butanol 74.06
    acetonitrile 154.41
    DMF 1258.52
    toluene 246.81
    isobutanol 75.69
    1,4-dioxane 312.38
    methyl acetate 499.78
    THF 921.08
    2-butanone 479.85
    n-pentanol 65.12
    sec-butanol 95.08
    n-hexane 18.1
    ethylene glycol 18.37
    NMP 4160.65
    cyclohexane 45.66
    DMSO 993.67
    n-butyl acetate 288.91
    n-octanol 62.77
    chloroform 1544.52
    n-propyl acetate 353.2
    acetic acid 495.89
    dichloromethane 1786.69
    cyclohexanone 1093.16
    propylene glycol 43.12
    isopropyl acetate 383.22
    DMAc 2726.26
    2-ethoxyethanol 199.54
    isopentanol 72.47
    n-heptane 12.16
    ethyl formate 260.43
    1,2-dichloroethane 988.71
    n-hexanol 47.18
    2-methoxyethanol 276.24
    isobutyl acetate 193.52
    tetrachloromethane 280.01
    n-pentyl acetate 419.91
    transcutol 927.08
    n-heptanol 55.84
    ethylbenzene 125.62
    MIBK 253.08
    2-propoxyethanol 193.5
    tert-butanol 84.38
    MTBE 176.6
    2-butoxyethanol 224.35
    propionic acid 377.17
    o-xylene 231.99
    formic acid 171.94
    diethyl ether 136.47
    m-xylene 164.14
    p-xylene 165.14
    chlorobenzene 469.25
    dimethyl carbonate 439.28
    n-octane 7.67
    formamide 326.58
    cyclopentanone 1526.26
    2-pentanone 409.5
    anisole 276.08
    cyclopentyl methyl ether 603.09
    gamma-butyrolactone 2074.73
    1-methoxy-2-propanol 294.54
    pyridine 683.31
    3-pentanone 521.8
    furfural 1435.45
    n-dodecane 4.97
    diethylene glycol 96.77
    diisopropyl ether 61.82
    tert-amyl alcohol 156.1
    acetylacetone 743.04
    n-hexadecane 6.02
    acetophenone 518.57
    methyl propionate 656.06
    isopentyl acetate 268.44
    trichloroethylene 2491.59
    n-nonanol 67.63
    cyclohexanol 200.66
    benzyl alcohol 172.66
    2-ethylhexanol 52.8
    isooctanol 56.35
    dipropyl ether 115.54
    1,2-dichlorobenzene 641.44
    ethyl lactate 219.72
    propylene carbonate 1160.84
    n-methylformamide 510.16
    2-pentanol 70.94
    n-pentane 13.92
    1-propoxy-2-propanol 198.04
    1-methoxy-2-propyl acetate 446.24
    2-(2-methoxypropoxy) propanol 275.65
    mesitylene 97.24
    ε-caprolactone 1266.8
    p-cymene 73.13
    epichlorohydrin 1503.45
    1,1,1-trichloroethane 1081.78
    2-aminoethanol 58.15
    morpholine-4-carbaldehyde 1470.72
    sulfolane 3699.32
    2,2,4-trimethylpentane 20.54
    2-methyltetrahydrofuran 687.53
    n-hexyl acetate 404.28
    isooctane 7.06
    2-(2-butoxyethoxy)ethanol 300.07
    sec-butyl acetate 293.41
    tert-butyl acetate 442.51
    decalin 36.5
    glycerin 93.04
    diglyme 769.47
    acrylic acid 390.87
    isopropyl myristate 112.56
    n-butyric acid 487.0
    acetyl acetate 542.63
    di(2-ethylhexyl) phthalate 136.99
    ethyl propionate 430.86
    nitromethane 1285.98
    1,2-diethoxyethane 279.6
    benzonitrile 232.25
    trioctyl phosphate 86.12
    1-bromopropane 336.59
    gamma-valerolactone 1861.6
    n-decanol 40.54
    triethyl phosphate 240.3
    4-methyl-2-pentanol 46.22
    propionitrile 148.46
    vinylene carbonate 984.92
    1,1,2-trichlorotrifluoroethane 1472.01
    DMS 535.56
    cumene 81.25
    2-octanol 52.18
    2-hexanone 268.49
    octyl acetate 165.92
    limonene 131.62
    1,2-dimethoxyethane 381.45
    ethyl orthosilicate 198.5
    tributyl phosphate 133.81
    diacetone alcohol 400.0
    N,N-dimethylaniline 262.49
    acrylonitrile 248.08
    aniline 271.12
    1,3-propanediol 78.47
    bromobenzene 562.53
    dibromomethane 842.04
    1,1,2,2-tetrachloroethane 2077.84
    2-methyl-cyclohexyl acetate 277.53
    tetrabutyl urea 214.75
    diisobutyl methanol 36.89
    2-phenylethanol 120.23
    styrene 164.03
    dioctyl adipate 244.1
    dimethyl sulfate 1389.59
    ethyl butyrate 310.93
    methyl lactate 372.29
    butyl lactate 330.02
    diethyl carbonate 215.71
    propanediol butyl ether 191.43
    triethyl orthoformate 255.7
    p-tert-butyltoluene 68.6
    methyl 4-tert-butylbenzoate 546.38
    morpholine 514.24
    tert-butylamine 50.24
    n-dodecanol 26.37
    dimethoxymethane 495.56
    ethylene carbonate 759.98
    cyrene 426.28
    2-ethoxyethyl acetate 629.38
    2-ethylhexyl acetate 245.48
    1,2,4-trichlorobenzene 967.25
    4-methylpyridine 686.05
    dibutyl ether 119.38
    2,6-dimethyl-4-heptanol 36.89
    DEF 904.46
    dimethyl isosorbide 720.57
    tetrachloroethylene 1288.53
    eugenol 342.74
    triacetin 768.31
    span 80 234.79
    1,4-butanediol 37.73
    1,1-dichloroethane 718.96
    2-methyl-1-pentanol 79.13
    methyl formate 389.51
    2-methyl-1-butanol 101.33
    n-decane 11.37
    butyronitrile 126.51
    3,7-dimethyl-1-octanol 69.43
    1-chlorooctane 79.13
    1-chlorotetradecane 23.43
    n-nonane 10.14
    undecane 7.06
    tert-butylcyclohexane 23.82
    cyclooctane 18.34
    cyclopentanol 253.2
    tetrahydropyran 394.69
    tert-amyl methyl ether 267.23
    2,5,8-trioxanonane 444.59
    1-hexene 57.38
    2-isopropoxyethanol 155.05
    2,2,2-trifluoroethanol 360.44
    methyl butyrate 558.05

    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