Trilinolein

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  • Identifiers

    CAS number
    537-40-6

    Molecular formula
    C57H98O6

    SMILES
    CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 75.2%
    Oily 61.21%
    Waxy 46.7%
    Sweet 25.96%
    Fruity 23.73%
    Odorless 22.91%
    Buttery 21.06%
    Fishy 19.51%
    Dairy 19.34%
    Creamy 19.22%

     

    Flavor
    Faint 29.65%
    Fatty 26.08%
    Waxy 23.61%
    Slightly waxy 20.24%
    Bland 20.22%
    Delicate 19.46%
    Oriental 19.01%
    Bay oil 18.77%
    Diterpene 18.73%
    Low 18.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    20.3

    pKa est.
    10.47 (weak base)

    Molecular weight
    879.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    775°C

    Flash point

    • 314.87 ˚C est.

  • Synonyms

    • Trilinolein
    • 537-40-6
    • Glycerol trilinoleate
    • V5LJ52OGS7
    • EFADERMA-F
    • 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
    • (Z,Z)-9,12-Octadecadienoic acid, 1,2,3-propanetriyl ester
    • trilinoelaidate
    • 9,12-Octadecadienoic acid (9Z,12Z)-, 1,2,3-propanetriyl ester
    • trilinoleic glycerol
    • 2,3-bis(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
    • RefChem:52098
    • GlyTouCan:G71702DH
    • G71702DH
    • Glyceryl trilinoleate
    • 1,2,3-Trilinoleoylglycerol
    • Efaderma F
    • Glycerin Trilinoleate
    • 1,2,3-Propanetriol trilinoleate
    • TG(18:2/18:2/18:2)
    • CHEMBL3343985
    • CHEBI:75844
    • C57H98O6
    • TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
    • MFCD00042909
    • 9,12-Octadecadienoic acid (Z,Z)-, 1,2,3-propanetriyl ester
    • 1,2,3-tri-(9Z,12Z-octadecadienoyl)-glycerol
    • Propane-1,2,3-triyl (9Z,9'Z,9''Z,12Z,12'Z,12''Z)-tris(octadeca-9,12-dienoate)
    • TAG(18:2/18:2/18:2)
    • TG 54:6
    • EINECS 208-666-6
    • UNII-V5LJ52OGS7
    • Trilinolelaidin
    • Glycerol Tri-9,12-octadecadienoate
    • DTXSID1042653
    • Trioctadecadienoin
    • linoleoyl triglyceride
    • trilinolein C18:2
    • Trilinolein (Standard)
    • Linoleic acid, 1,2,3-propanetriyl ester
    • LINOLEIN, TRI-
    • 1,2,3-Propenetriol tri(9,12-octadecaienoate)
    • SCHEMBL114944
    • 1,2,3-Tri(cis,cis-9,12-octadecadienoyl) Glycerol
    • 9,12-Octadecadienoic acid, 1,2,3-propanetriyl ester
    • MSK2005
    • Propane-1,2,3-triyl tris((9Z,12Z)-octadeca-9,12-dienoate)
    • LMGL03010371
    • s6125
    • AKOS040758726
    • EBC-618373
    • FG23676
    • HY-128393R
    • 1,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
    • Tracylglycerol(18:2/18:2/18:2)
    • Triacylglycerol(18:2/18:2/18:2)
    • BP-29845
    • Glyceryl trilinoleate, analytical standard
    • HY-128393
    • CS-0099524
    • NS00014181
    • T1388
    • 1,2,3-tri-(9Z,12Z)-octadecadienoylglycerol
    • 1,2,3-tri-(9Z,12Z-octadecadienoyl)glycerol
    • 1-linoleoyl-2-linoleoyl-3-linoleoyl-glycerol
    • Glyceryl trilinoleate, >=98% (TLC), liquid
    • TG(18:2omega6/18:2omega6/18:2omega6)
    • Tracylglycerol(18:2n6/18:2n6/18:2n6)
    • Tracylglycerol(18:2w6/18:2w6/18:2w6)
    • T72589
    • TAG(18:2n6/18:2n6/18:2n6)
    • TAG(18:2w6/18:2w6/18:2w6)
    • 1,2,3-Propenetriol tri(9,12-octadecadienoate)
    • glycerol 1,2,3-tri-(9Z,12Z-octadecadienoate)
    • TG(18:2n6/18:2n6/18:2n6)
    • TG(18:2w6/18:2w6/18:2w6)
    • 1,2,3-Tri-(cis,cis-9,12-octadecadienoyl)glycerol
    • TG 18:2_18:2_18:2
    • Tracylglycerol(18:2omega6/18:2omega6/18:2omega6)
    • TG [18:2(omega-6)/18:2(omega-6)/18:2(omega-6)]
    • Propane-1,2,3-triyl tri[(9Z,12Z)-octadeca-9,12-dienoate]
    • 2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate #
    • 9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER
    • propane-1,2,3-triyl (9Z,12Z,9'Z,12'Z,9''Z,12''Z)tris-octadeca-9,12-dienoate
    • 537-40-6

  • Applications

    Trilinolein is a triacylglyceride comprising three linoleic acid units, a natural component of many plant oils, and it is used as a model triglyceride in lipid chemistry and as a reference lipid for analytical work in food oil formulations; in industry it serves as a renewable oleochemical feedstock for the synthesis of esters, surfactants, and alkyd resins used in coatings and paints; it can function as a base oil or emollient in cosmetics and personal care products; it may be used as a lipid-based excipient or solvent in pharmaceutical formulations, subject to regulatory control; and triglyceride-rich oils contribute to drying oils for coatings, while trilinolein provides a reference material for analytical methods evaluating triglycerides.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.08
    methanol 10.75
    isopropanol 12.12
    water 0.13
    ethyl acetate 184.86
    n-propanol 19.73
    acetone 111.9
    n-butanol 20.79
    acetonitrile 38.31
    DMF 191.79
    toluene 100.63
    isobutanol 18.54
    1,4-dioxane 128.89
    methyl acetate 140.93
    THF 322.16
    2-butanone 156.22
    n-pentanol 23.67
    sec-butanol 28.55
    n-hexane 18.71
    ethylene glycol 1.85
    NMP 768.23
    cyclohexane 40.35
    DMSO 183.57
    n-butyl acetate 114.15
    n-octanol 28.34
    chloroform 544.17
    n-propyl acetate 144.95
    acetic acid 84.13
    dichloromethane 540.23
    cyclohexanone 385.43
    propylene glycol 5.63
    isopropyl acetate 147.16
    DMAc 638.64
    2-ethoxyethanol 54.99
    isopentanol 23.21
    n-heptane 12.56
    ethyl formate 71.6
    1,2-dichloroethane 286.15
    n-hexanol 19.82
    2-methoxyethanol 45.0
    isobutyl acetate 82.95
    tetrachloromethane 120.62
    n-pentyl acetate 181.47
    transcutol 250.85
    n-heptanol 24.33
    ethylbenzene 66.58
    MIBK 99.79
    2-propoxyethanol 55.97
    tert-butanol 22.55
    MTBE 83.79
    2-butoxyethanol 73.42
    propionic acid 69.9
    o-xylene 99.27
    formic acid 17.79
    diethyl ether 70.95
    m-xylene 73.52
    p-xylene 86.42
    chlorobenzene 177.96
    dimethyl carbonate 122.5
    n-octane 7.91
    formamide 33.55
    cyclopentanone 447.57
    2-pentanone 147.08
    anisole 121.16
    cyclopentyl methyl ether 221.09
    gamma-butyrolactone 508.0
    1-methoxy-2-propanol 57.29
    pyridine 198.5
    3-pentanone 182.89
    furfural 316.62
    n-dodecane 4.47
    diethylene glycol 19.5
    diisopropyl ether 38.6
    tert-amyl alcohol 48.89
    acetylacetone 253.67
    n-hexadecane 5.4
    acetophenone 181.47
    methyl propionate 186.57
    isopentyl acetate 107.85
    trichloroethylene 680.18
    n-nonanol 31.49
    cyclohexanol 61.16
    benzyl alcohol 54.64
    2-ethylhexanol 26.57
    isooctanol 27.14
    dipropyl ether 71.03
    1,2-dichlorobenzene 245.74
    ethyl lactate 68.62
    propylene carbonate 297.57
    n-methylformamide 67.99
    2-pentanol 25.5
    n-pentane 11.23
    1-propoxy-2-propanol 65.17
    1-methoxy-2-propyl acetate 150.37
    2-(2-methoxypropoxy) propanol 95.85
    mesitylene 49.14
    ε-caprolactone 408.06
    p-cymene 41.42
    epichlorohydrin 436.25
    1,1,1-trichloroethane 425.33
    2-aminoethanol 6.73
    morpholine-4-carbaldehyde 327.16
    sulfolane 802.81
    2,2,4-trimethylpentane 16.1
    2-methyltetrahydrofuran 271.06
    n-hexyl acetate 165.41
    isooctane 5.62
    2-(2-butoxyethoxy)ethanol 96.79
    sec-butyl acetate 126.1
    tert-butyl acetate 176.09
    decalin 27.43
    glycerin 10.95
    diglyme 247.06
    acrylic acid 61.86
    isopropyl myristate 53.23
    n-butyric acid 115.12
    acetyl acetate 184.32
    di(2-ethylhexyl) phthalate 56.45
    ethyl propionate 172.56
    nitromethane 235.24
    1,2-diethoxyethane 135.76
    benzonitrile 77.48
    trioctyl phosphate 36.63
    1-bromopropane 151.45
    gamma-valerolactone 490.79
    n-decanol 20.12
    triethyl phosphate 106.41
    4-methyl-2-pentanol 18.55
    propionitrile 46.66
    vinylene carbonate 241.74
    1,1,2-trichlorotrifluoroethane 293.54
    DMS 169.64
    cumene 44.63
    2-octanol 25.14
    2-hexanone 131.49
    octyl acetate 71.88
    limonene 70.99
    1,2-dimethoxyethane 137.87
    ethyl orthosilicate 95.92
    tributyl phosphate 53.31
    diacetone alcohol 115.54
    N,N-dimethylaniline 105.28
    acrylonitrile 57.85
    aniline 76.64
    1,3-propanediol 12.85
    bromobenzene 232.69
    dibromomethane 301.37
    1,1,2,2-tetrachloroethane 642.02
    2-methyl-cyclohexyl acetate 120.78
    tetrabutyl urea 86.4
    diisobutyl methanol 20.16
    2-phenylethanol 43.35
    styrene 75.94
    dioctyl adipate 102.35
    dimethyl sulfate 303.98
    ethyl butyrate 142.37
    methyl lactate 78.92
    butyl lactate 109.57
    diethyl carbonate 97.2
    propanediol butyl ether 48.79
    triethyl orthoformate 127.63
    p-tert-butyltoluene 38.25
    methyl 4-tert-butylbenzoate 184.87
    morpholine 150.14
    tert-butylamine 16.97
    n-dodecanol 14.08
    dimethoxymethane 120.8
    ethylene carbonate 200.02
    cyrene 139.53
    2-ethoxyethyl acetate 228.84
    2-ethylhexyl acetate 104.75
    1,2,4-trichlorobenzene 326.82
    4-methylpyridine 199.42
    dibutyl ether 75.26
    2,6-dimethyl-4-heptanol 20.16
    DEF 242.7
    dimethyl isosorbide 231.14
    tetrachloroethylene 345.13
    eugenol 113.38
    triacetin 255.57
    span 80 81.02
    1,4-butanediol 8.4
    1,1-dichloroethane 263.55
    2-methyl-1-pentanol 33.29
    methyl formate 62.95
    2-methyl-1-butanol 30.68
    n-decane 10.36
    butyronitrile 43.69
    3,7-dimethyl-1-octanol 31.14
    1-chlorooctane 47.05
    1-chlorotetradecane 15.55
    n-nonane 9.71
    undecane 6.27
    tert-butylcyclohexane 18.1
    cyclooctane 18.59
    cyclopentanol 65.59
    tetrahydropyran 178.53
    tert-amyl methyl ether 115.83
    2,5,8-trioxanonane 144.79
    1-hexene 40.78
    2-isopropoxyethanol 50.73
    2,2,2-trifluoroethanol 64.63
    methyl butyrate 204.91

    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