Triethylhexanoin

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  • Identifiers

    CAS number
    7360-38-5

    Molecular formula
    C27H50O6

    SMILES
    CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC

  • Odor profile

    Fruity 61.27%
    Herbal 46.41%
    Oily 41.49%
    Fatty 37.19%
    Woody 34.12%
    Lactonic 26.42%
    Waxy 25.66%
    Peach 24.7%
    Fresh 23.04%
    Mint 21.5%

    Scent© AI

  • Properties

    XLogP3-AA
    8.5

    Molecular weight
    470.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Flash point est.
    183.48 ˚C

  • Synonyms

    • Triethylhexanoin
    • 7360-38-5
    • Glyceryl tri(2-ethylhexanoate)
    • hexalan
    • propane-1,2,3-triyl tris(2-ethylhexanoate)
    • UNII-7K3W1BIU6K
    • 7K3W1BIU6K
    • CRODAMOL GTEH
    • Hexanoic acid, 2-ethyl-, 1,2,3-propanetriyl ester
    • EINECS 230-896-0
    • 2,3-bis(2-ethylhexanoyloxy)propyl 2-ethylhexanoate
    • EC 230-896-0
    • GLYCERYL TRIS(2-ETHYLHEXANOATE)
    • Octanoic acid, 1,2,3-propanetriol ester
    • Propane-1,2,3-triyl 2-ethylhexanoate
    • SCHEMBL157524
    • 2-Ethylhexanoic acid triglyceride
    • DTXSID00864043
    • DGSZGZSCHSQXFV-UHFFFAOYSA-N
    • Glycerol, tris-(2-ethylhexanoate)
    • 3CE LIP COLOR 906 BITE IT
    • NS00009887
    • C20355
    • 2-ethylhexanoic acid, 1,2,3-propanetriyl ester
    • Q27268437
    • Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester
    • 230-896-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.33
    methanol 143.27
    isopropanol 173.11
    water 2.82
    ethyl acetate 1324.22
    n-propanol 232.25
    acetone 983.62
    n-butanol 221.27
    acetonitrile 535.09
    DMF 978.33
    toluene 584.75
    isobutanol 231.58
    1,4-dioxane 863.65
    methyl acetate 989.99
    THF 1503.07
    2-butanone 1030.34
    n-pentanol 219.21
    sec-butanol 316.69
    n-hexane 76.64
    ethylene glycol 24.45
    NMP 2472.15
    cyclohexane 239.64
    DMSO 1095.61
    n-butyl acetate 618.83
    n-octanol 185.27
    chloroform 2518.94
    n-propyl acetate 787.32
    acetic acid 700.89
    dichloromethane 3026.57
    cyclohexanone 2095.49
    propylene glycol 53.89
    isopropyl acetate 874.38
    DMAc 2032.41
    2-ethoxyethanol 408.6
    isopentanol 231.43
    n-heptane 40.15
    ethyl formate 504.84
    1,2-dichloroethane 2011.27
    n-hexanol 147.77
    2-methoxyethanol 408.85
    isobutyl acetate 412.29
    tetrachloromethane 684.95
    n-pentyl acetate 990.68
    transcutol 1297.3
    n-heptanol 165.37
    ethylbenzene 291.93
    MIBK 543.58
    2-propoxyethanol 330.95
    tert-butanol 251.27
    MTBE 519.85
    2-butoxyethanol 416.31
    propionic acid 582.42
    o-xylene 482.45
    formic acid 167.64
    diethyl ether 543.19
    m-xylene 345.32
    p-xylene 440.85
    chlorobenzene 1012.32
    dimethyl carbonate 507.67
    n-octane 28.41
    formamide 368.52
    cyclopentanone 2051.81
    2-pentanone 913.21
    anisole 490.44
    cyclopentyl methyl ether 1023.93
    gamma-butyrolactone 2293.51
    1-methoxy-2-propanol 405.18
    pyridine 1168.63
    3-pentanone 994.73
    furfural 1563.26
    n-dodecane 16.28
    diethylene glycol 161.4
    diisopropyl ether 211.82
    tert-amyl alcohol 413.52
    acetylacetone 1321.93
    n-hexadecane 19.46
    acetophenone 750.42
    methyl propionate 1022.09
    isopentyl acetate 571.24
    trichloroethylene 3485.12
    n-nonanol 174.57
    cyclohexanol 541.51
    benzyl alcohol 366.9
    2-ethylhexanol 142.62
    isooctanol 161.93
    dipropyl ether 255.27
    1,2-dichlorobenzene 1097.1
    ethyl lactate 296.17
    propylene carbonate 1341.12
    n-methylformamide 496.19
    2-pentanol 226.28
    n-pentane 62.08
    1-propoxy-2-propanol 295.72
    1-methoxy-2-propyl acetate 606.27
    2-(2-methoxypropoxy) propanol 337.22
    mesitylene 217.12
    ε-caprolactone 2168.42
    p-cymene 151.85
    epichlorohydrin 2064.54
    1,1,1-trichloroethane 2151.78
    2-aminoethanol 80.04
    morpholine-4-carbaldehyde 1366.78
    sulfolane 2800.1
    2,2,4-trimethylpentane 62.29
    2-methyltetrahydrofuran 1397.75
    n-hexyl acetate 887.92
    isooctane 21.92
    2-(2-butoxyethoxy)ethanol 426.95
    sec-butyl acetate 583.12
    tert-butyl acetate 857.45
    decalin 93.67
    glycerin 95.17
    diglyme 1058.72
    acrylic acid 496.1
    isopropyl myristate 215.81
    n-butyric acid 880.15
    acetyl acetate 1093.86
    di(2-ethylhexyl) phthalate 229.7
    ethyl propionate 767.98
    nitromethane 1578.45
    1,2-diethoxyethane 636.15
    benzonitrile 554.56
    trioctyl phosphate 160.73
    1-bromopropane 909.68
    gamma-valerolactone 2249.13
    n-decanol 107.22
    triethyl phosphate 308.08
    4-methyl-2-pentanol 131.25
    propionitrile 423.1
    vinylene carbonate 1114.63
    1,1,2-trichlorotrifluoroethane 1213.37
    DMS 779.54
    cumene 175.72
    2-octanol 174.52
    2-hexanone 618.09
    octyl acetate 326.09
    limonene 250.39
    1,2-dimethoxyethane 753.18
    ethyl orthosilicate 279.55
    tributyl phosphate 217.95
    diacetone alcohol 609.69
    N,N-dimethylaniline 336.2
    acrylonitrile 507.5
    aniline 476.67
    1,3-propanediol 153.79
    bromobenzene 1216.09
    dibromomethane 1906.87
    1,1,2,2-tetrachloroethane 2640.24
    2-methyl-cyclohexyl acetate 426.81
    tetrabutyl urea 275.8
    diisobutyl methanol 91.75
    2-phenylethanol 261.31
    styrene 383.84
    dioctyl adipate 374.44
    dimethyl sulfate 1054.61
    ethyl butyrate 546.25
    methyl lactate 384.9
    butyl lactate 500.58
    diethyl carbonate 369.6
    propanediol butyl ether 292.99
    triethyl orthoformate 357.21
    p-tert-butyltoluene 135.91
    methyl 4-tert-butylbenzoate 642.19
    morpholine 1003.65
    tert-butylamine 165.95
    n-dodecanol 70.3
    dimethoxymethane 674.35
    ethylene carbonate 1032.68
    cyrene 478.87
    2-ethoxyethyl acetate 1139.59
    2-ethylhexyl acetate 505.26
    1,2,4-trichlorobenzene 1325.49
    4-methylpyridine 1224.66
    dibutyl ether 289.17
    2,6-dimethyl-4-heptanol 91.75
    DEF 1237.89
    dimethyl isosorbide 692.56
    tetrachloroethylene 1980.14
    eugenol 445.59
    triacetin 948.32
    span 80 329.38
    1,4-butanediol 95.38
    1,1-dichloroethane 1609.24
    2-methyl-1-pentanol 256.65
    methyl formate 413.55
    2-methyl-1-butanol 293.01
    n-decane 35.75
    butyronitrile 418.17
    3,7-dimethyl-1-octanol 165.05
    1-chlorooctane 207.84
    1-chlorotetradecane 58.5
    n-nonane 34.7
    undecane 22.38
    tert-butylcyclohexane 60.61
    cyclooctane 72.92
    cyclopentanol 558.54
    tetrahydropyran 1059.88
    tert-amyl methyl ether 580.83
    2,5,8-trioxanonane 543.11
    1-hexene 207.58
    2-isopropoxyethanol 350.41
    2,2,2-trifluoroethanol 514.34
    methyl butyrate 956.23

    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