Tricaproin

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  • Identifiers

    CAS number
    621-70-5

    Molecular formula
    C21H38O6

    SMILES
    CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 83.44%
    Fatty 56.94%
    Winey 55.81%
    Oily 51.79%
    Green 44.63%
    Waxy 38.5%
    Pineapple 34.85%
    Buttery 34.17%
    Fermented 32.87%
    Sweet 31.89%

     

    Flavor
    Fruity 64.37%
    Waxy 54.79%
    Fatty 41.82%
    Oily 38.2%
    Green 37.52%
    Creamy 35.6%
    Wine 35.05%
    Sweet 34.23%
    Apple 34.02%
    Cheese 33.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.29 (neutral)

    Molecular weight
    386.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -25 °C

    Boiling point

    • 244.00 °C. @ 28.00 mm Hg

    Flash point

    • 188.68 ˚C est.

    Solubility expt.

    • 0.00045 mg/mL at 37 °C

  • Synonyms

    • TRICAPROIN
    • Trihexanoin
    • 621-70-5
    • Tricapronin
    • Caproic triglyceride
    • Glycerol tricaproate
    • Glyceryl tricaproate
    • Tricaproylglycerol
    • Trihexanoyl glycerol
    • Hexanoic acid, 1,2,3-propanetriyl ester
    • EZ1Y9R895Y
    • DTXSID4060737
    • NSC-406885
    • CHEBI:77386
    • RefChem:899158
    • GlyTouCan:G78620RW
    • DTXCID8043232
    • G78620RW
    • 210-701-5
    • Glycerol trihexanoate
    • Trihexanoylglycerol
    • Propane-1,2,3-triyl trihexanoate
    • Hexanoin, tri-
    • 2,3-di(hexanoyloxy)propyl hexanoate
    • Tri-n-caproin
    • 1,2,3-Tricaproylglycerol
    • Glycerol tricapronate
    • NSC 406885
    • MFCD00042905
    • Hexanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
    • Tricaproin (>90%)
    • EINECS 210-701-5
    • BRN 1806732
    • AI3-07948
    • Tri-Hexanoin
    • Tricaproin CRS
    • Hexanoin, tri- (6CI,7CI,8CI)
    • Tricaproin (C6:0)
    • 1,2,3-trihexanoylglycerol
    • GLYCERYL TRIHEXANOATE
    • UNII-EZ1Y9R895Y
    • 4-02-00-00926 (Beilstein Handbook Reference)
    • Glycerol trihexanoate, ~99%
    • SCHEMBL177730
    • 1,2,3-Propanetriyl hexanoate
    • Glycerol tricapronate;Tricaproin
    • orb2939876
    • WLN: 5VO1YOV5&1OV5
    • MSK2031
    • propane-1,2,3-triyl tricaproate
    • Propane-1,2,3-triyltrihexanoate
    • NSC406885
    • 1,2,3-Propanetriyl hexanoate, 9CI
    • 2,3-Bis(hexanoyloxy)propyl hexanoate
    • Hexanoic acid,2,3-propanetriyl ester
    • AKOS015899808
    • HY-W127534
    • 2,3-Bis(hexanoyloxy)propyl hexanoate #
    • PD069966
    • SY052924
    • CS-0185760
    • NS00034948
    • ST51037440
    • T0441
    • D92343
    • Glycerol trihexanoate, puriss., >=99.0% (GC)
    • 2-hexanoyloxy-1-(hexanoyloxymethyl)ethyl hexanoate
    • TG 6:0/6:0/6:0
    • Q27146921
    • Tricaproin, European Pharmacopoeia (EP) Reference Standard
    • 621-70-5

  • Applications

    Tricaproin (glyceryl trihexanoate) is a triglyceride used as a lipophilic oil across several industries. In cosmetics and personal care it serves as an emollient and conditioning base oil for creams, lotions, and balms. In perfumery it can function as a fragrance carrier due to its non-polar, inert matrix. In industrial manufacturing and plastics it is regarded as a renewable lipid-based feedstock and can act as a plasticizer or diluent in coatings, inks, and polymer formulations. It can also be processed by transesterification to fatty acid methyl esters for biodiesel components. As a base oil, it is used in lubricants and greases where compatible formulations exist. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 132.74
    methanol 201.35
    isopropanol 116.44
    water 1.53
    ethyl acetate 786.22
    n-propanol 139.34
    acetone 833.95
    n-butanol 124.72
    acetonitrile 507.7
    DMF 1342.93
    toluene 354.4
    isobutanol 127.38
    1,4-dioxane 531.05
    methyl acetate 773.91
    THF 1142.33
    2-butanone 693.81
    n-pentanol 123.98
    sec-butanol 148.69
    n-hexane 27.51
    ethylene glycol 31.06
    NMP 2946.63
    cyclohexane 70.91
    DMSO 1772.44
    n-butyl acetate 402.09
    n-octanol 74.88
    chloroform 1827.35
    n-propyl acetate 499.92
    acetic acid 896.25
    dichloromethane 2330.54
    cyclohexanone 1432.31
    propylene glycol 49.68
    isopropyl acetate 545.46
    DMAc 2584.38
    2-ethoxyethanol 337.93
    isopentanol 139.75
    n-heptane 12.71
    ethyl formate 386.65
    1,2-dichloroethane 1549.54
    n-hexanol 79.07
    2-methoxyethanol 432.66
    isobutyl acetate 263.35
    tetrachloromethane 328.48
    n-pentyl acetate 399.6
    transcutol 1095.64
    n-heptanol 66.05
    ethylbenzene 169.11
    MIBK 342.91
    2-propoxyethanol 262.29
    tert-butanol 196.55
    MTBE 313.78
    2-butoxyethanol 235.1
    propionic acid 431.92
    o-xylene 284.93
    formic acid 266.46
    diethyl ether 257.15
    m-xylene 202.64
    p-xylene 270.08
    chlorobenzene 647.57
    dimethyl carbonate 426.22
    n-octane 8.33
    formamide 552.38
    cyclopentanone 1543.37
    2-pentanone 568.69
    anisole 353.17
    cyclopentyl methyl ether 608.84
    gamma-butyrolactone 2027.61
    1-methoxy-2-propanol 334.4
    pyridine 860.12
    3-pentanone 637.8
    furfural 1522.87
    n-dodecane 6.46
    diethylene glycol 174.74
    diisopropyl ether 99.63
    tert-amyl alcohol 246.36
    acetylacetone 1100.0
    n-hexadecane 7.74
    acetophenone 596.57
    methyl propionate 712.21
    isopentyl acetate 387.93
    trichloroethylene 2885.35
    n-nonanol 74.92
    cyclohexanol 278.25
    benzyl alcohol 259.56
    2-ethylhexanol 76.22
    isooctanol 65.2
    dipropyl ether 135.29
    1,2-dichlorobenzene 748.85
    ethyl lactate 222.04
    propylene carbonate 1101.62
    n-methylformamide 595.16
    2-pentanol 105.49
    n-pentane 18.64
    1-propoxy-2-propanol 208.86
    1-methoxy-2-propyl acetate 463.94
    2-(2-methoxypropoxy) propanol 291.54
    mesitylene 121.62
    ε-caprolactone 1360.57
    p-cymene 87.21
    epichlorohydrin 1810.95
    1,1,1-trichloroethane 1474.79
    2-aminoethanol 85.17
    morpholine-4-carbaldehyde 1456.33
    sulfolane 2883.81
    2,2,4-trimethylpentane 22.35
    2-methyltetrahydrofuran 890.34
    n-hexyl acetate 420.47
    isooctane 8.87
    2-(2-butoxyethoxy)ethanol 334.13
    sec-butyl acetate 368.23
    tert-butyl acetate 563.27
    decalin 44.43
    glycerin 106.26
    diglyme 873.12
    acrylic acid 460.09
    isopropyl myristate 125.35
    n-butyric acid 592.73
    acetyl acetate 815.49
    di(2-ethylhexyl) phthalate 151.87
    ethyl propionate 527.67
    nitromethane 2041.51
    1,2-diethoxyethane 405.41
    benzonitrile 395.4
    trioctyl phosphate 91.22
    1-bromopropane 526.5
    gamma-valerolactone 1946.61
    n-decanol 49.1
    triethyl phosphate 230.85
    4-methyl-2-pentanol 70.97
    propionitrile 299.96
    vinylene carbonate 939.1
    1,1,2-trichlorotrifluoroethane 1275.93
    DMS 514.59
    cumene 107.31
    2-octanol 56.96
    2-hexanone 403.13
    octyl acetate 173.11
    limonene 142.52
    1,2-dimethoxyethane 666.41
    ethyl orthosilicate 202.4
    tributyl phosphate 146.05
    diacetone alcohol 483.27
    N,N-dimethylaniline 267.78
    acrylonitrile 450.67
    aniline 347.64
    1,3-propanediol 137.26
    bromobenzene 737.47
    dibromomethane 1260.96
    1,1,2,2-tetrachloroethane 2211.61
    2-methyl-cyclohexyl acetate 296.92
    tetrabutyl urea 206.86
    diisobutyl methanol 51.13
    2-phenylethanol 173.59
    styrene 236.59
    dioctyl adipate 255.57
    dimethyl sulfate 1074.06
    ethyl butyrate 366.67
    methyl lactate 310.34
    butyl lactate 266.9
    diethyl carbonate 271.87
    propanediol butyl ether 190.53
    triethyl orthoformate 245.51
    p-tert-butyltoluene 77.33
    methyl 4-tert-butylbenzoate 431.91
    morpholine 711.24
    tert-butylamine 116.9
    n-dodecanol 35.1
    dimethoxymethane 627.1
    ethylene carbonate 772.02
    cyrene 389.96
    2-ethoxyethyl acetate 595.03
    2-ethylhexyl acetate 316.86
    1,2,4-trichlorobenzene 944.21
    4-methylpyridine 967.61
    dibutyl ether 154.8
    2,6-dimethyl-4-heptanol 51.13
    DEF 1005.62
    dimethyl isosorbide 633.52
    tetrachloroethylene 1429.83
    eugenol 305.32
    triacetin 604.59
    span 80 225.69
    1,4-butanediol 74.14
    1,1-dichloroethane 1183.15
    2-methyl-1-pentanol 149.5
    methyl formate 464.06
    2-methyl-1-butanol 150.68
    n-decane 12.54
    butyronitrile 264.73
    3,7-dimethyl-1-octanol 84.72
    1-chlorooctane 84.94
    1-chlorotetradecane 29.46
    n-nonane 11.33
    undecane 8.49
    tert-butylcyclohexane 28.66
    cyclooctane 19.59
    cyclopentanol 321.55
    tetrahydropyran 574.55
    tert-amyl methyl ether 329.93
    2,5,8-trioxanonane 524.27
    1-hexene 99.82
    2-isopropoxyethanol 251.74
    2,2,2-trifluoroethanol 533.09
    methyl butyrate 697.28

    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