Tetradecanoic acid, hexyl ester

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  • Identifiers

    CAS number
    42231-99-2

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCCC(=O)OCCCCCC

  • Odor profile

    Oily 72.49%
    Fatty 70.09%
    Waxy 65.64%
    Fruity 56.44%
    Floral 41.13%
    Winey 40.54%
    Cognac 39.28%
    Sweet 38.33%
    Creamy 35.33%
    Rose 30.55%

    Scent© AI

  • Properties

    XLogP3-AA
    8.7

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point est.
    160.56 ˚C

  • Synonyms

    • Hexyl tetradecanoate
    • Hexyl myristate
    • 42231-99-2
    • Tetradecanoic acid, hexyl ester
    • EINECS 255-722-0
    • AI3-31550
    • DTXSID9068372
    • WE(6:0/14:0)
    • Tetradecanoic acid,hexyl ester
    • n-hexyl myristate
    • SCHEMBL333314
    • CHEMBL207532
    • DTXCID8040068
    • CHEBI:179715
    • LMFA07010469
    • NS00022177
    • 255-722-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 431.26
    methanol 374.9
    isopropanol 675.59
    water 0.06
    ethyl acetate 2887.12
    n-propanol 620.05
    acetone 1924.08
    n-butanol 789.89
    acetonitrile 750.92
    DMF 2122.9
    toluene 955.28
    isobutanol 704.04
    1,4-dioxane 1971.09
    methyl acetate 1507.14
    THF 4197.4
    2-butanone 2191.89
    n-pentanol 513.08
    sec-butanol 812.14
    n-hexane 383.25
    ethylene glycol 22.35
    NMP 3623.34
    cyclohexane 1682.52
    DMSO 2199.56
    n-butyl acetate 2804.19
    n-octanol 551.13
    chloroform 4516.91
    n-propyl acetate 2938.92
    acetic acid 634.93
    dichloromethane 5018.41
    cyclohexanone 6028.85
    propylene glycol 80.56
    isopropyl acetate 2576.37
    DMAc 2960.07
    2-ethoxyethanol 848.81
    isopentanol 1028.34
    n-heptane 337.63
    ethyl formate 1019.2
    1,2-dichloroethane 4175.85
    n-hexanol 521.29
    2-methoxyethanol 972.08
    isobutyl acetate 1749.52
    tetrachloromethane 1206.86
    n-pentyl acetate 3059.53
    transcutol 4218.63
    n-heptanol 468.53
    ethylbenzene 645.13
    MIBK 2203.61
    2-propoxyethanol 954.57
    tert-butanol 1145.06
    MTBE 2165.28
    2-butoxyethanol 1079.47
    propionic acid 754.33
    o-xylene 828.91
    formic acid 87.33
    diethyl ether 1951.25
    m-xylene 711.4
    p-xylene 1052.39
    chlorobenzene 1716.06
    dimethyl carbonate 465.13
    n-octane 141.42
    formamide 237.33
    cyclopentanone 4800.87
    2-pentanone 2699.72
    anisole 1186.2
    cyclopentyl methyl ether 3117.24
    gamma-butyrolactone 4120.52
    1-methoxy-2-propanol 1121.31
    pyridine 2537.18
    3-pentanone 2046.72
    furfural 2470.74
    n-dodecane 68.49
    diethylene glycol 304.79
    diisopropyl ether 967.05
    tert-amyl alcohol 1218.66
    acetylacetone 2779.53
    n-hexadecane 88.46
    acetophenone 1431.4
    methyl propionate 1769.94
    isopentyl acetate 2650.18
    trichloroethylene 5944.37
    n-nonanol 533.39
    cyclohexanol 1833.39
    benzyl alcohol 614.82
    2-ethylhexanol 695.49
    isooctanol 546.57
    dipropyl ether 1738.19
    1,2-dichlorobenzene 1947.08
    ethyl lactate 647.3
    propylene carbonate 2337.87
    n-methylformamide 754.09
    2-pentanol 814.92
    n-pentane 255.15
    1-propoxy-2-propanol 1191.5
    1-methoxy-2-propyl acetate 2007.42
    2-(2-methoxypropoxy) propanol 817.75
    mesitylene 578.33
    ε-caprolactone 4487.29
    p-cymene 527.75
    epichlorohydrin 4073.56
    1,1,1-trichloroethane 4398.99
    2-aminoethanol 122.43
    morpholine-4-carbaldehyde 2698.98
    sulfolane 5267.78
    2,2,4-trimethylpentane 198.85
    2-methyltetrahydrofuran 4045.34
    n-hexyl acetate 2727.34
    isooctane 124.09
    2-(2-butoxyethoxy)ethanol 1229.63
    sec-butyl acetate 2235.64
    tert-butyl acetate 2965.94
    decalin 431.56
    glycerin 122.63
    diglyme 3120.5
    acrylic acid 428.24
    isopropyl myristate 826.09
    n-butyric acid 2101.5
    acetyl acetate 1546.71
    di(2-ethylhexyl) phthalate 496.78
    ethyl propionate 2489.15
    nitromethane 1762.28
    1,2-diethoxyethane 2547.67
    benzonitrile 1201.14
    trioctyl phosphate 412.06
    1-bromopropane 2584.16
    gamma-valerolactone 5337.52
    n-decanol 329.76
    triethyl phosphate 863.27
    4-methyl-2-pentanol 584.06
    propionitrile 991.26
    vinylene carbonate 1745.23
    1,1,2-trichlorotrifluoroethane 2041.96
    DMS 1277.11
    cumene 460.73
    2-octanol 528.22
    2-hexanone 2135.29
    octyl acetate 950.38
    limonene 1139.07
    1,2-dimethoxyethane 2664.04
    ethyl orthosilicate 879.15
    tributyl phosphate 620.24
    diacetone alcohol 1900.77
    N,N-dimethylaniline 838.72
    acrylonitrile 918.65
    aniline 868.49
    1,3-propanediol 343.3
    bromobenzene 2124.46
    dibromomethane 3459.21
    1,1,2,2-tetrachloroethane 5561.13
    2-methyl-cyclohexyl acetate 1581.99
    tetrabutyl urea 909.85
    diisobutyl methanol 540.21
    2-phenylethanol 602.22
    styrene 847.42
    dioctyl adipate 1146.34
    dimethyl sulfate 929.23
    ethyl butyrate 2587.79
    methyl lactate 494.28
    butyl lactate 1385.98
    diethyl carbonate 1200.48
    propanediol butyl ether 741.67
    triethyl orthoformate 1674.1
    p-tert-butyltoluene 474.43
    methyl 4-tert-butylbenzoate 1360.49
    morpholine 2945.94
    tert-butylamine 837.05
    n-dodecanol 235.54
    dimethoxymethane 1331.58
    ethylene carbonate 1863.69
    cyrene 781.81
    2-ethoxyethyl acetate 2558.97
    2-ethylhexyl acetate 2276.23
    1,2,4-trichlorobenzene 2079.12
    4-methylpyridine 2660.33
    dibutyl ether 2101.34
    2,6-dimethyl-4-heptanol 540.21
    DEF 3367.33
    dimethyl isosorbide 1860.14
    tetrachloroethylene 3626.52
    eugenol 919.85
    triacetin 2002.17
    span 80 898.93
    1,4-butanediol 129.29
    1,1-dichloroethane 3619.54
    2-methyl-1-pentanol 657.83
    methyl formate 491.98
    2-methyl-1-butanol 879.9
    n-decane 173.35
    butyronitrile 1382.94
    3,7-dimethyl-1-octanol 653.13
    1-chlorooctane 866.99
    1-chlorotetradecane 242.86
    n-nonane 180.48
    undecane 100.01
    tert-butylcyclohexane 296.83
    cyclooctane 372.89
    cyclopentanol 1486.01
    tetrahydropyran 4166.14
    tert-amyl methyl ether 1824.89
    2,5,8-trioxanonane 1515.17
    1-hexene 856.68
    2-isopropoxyethanol 811.12
    2,2,2-trifluoroethanol 281.57
    methyl butyrate 3390.16

    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