Octan-2-yl hexadecanoate

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  • Identifiers

    CAS number
    55194-81-5

    Molecular formula
    C24H48O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC

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  • Odor profile

    Fragrance
    Fatty 71.81%
    Waxy 71.02%
    Oily 66.28%
    Fruity 37.85%
    Creamy 33.53%
    Dairy 29.09%
    Sweet 28.39%
    Odorless 26.92%
    Floral 25.83%
    Milky 25.39%

     

    Flavor
    Waxy 56.18%
    Fatty 48.92%
    Oily 46.3%
    Mild 41.92%
    Fat 36.05%
    Bland 32.65%
    Soapy 31.93%
    Coconut 30.82%
    Faint 30.56%
    Slightly waxy 26.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.8

    pKa est.
    7.56 (neutral)

    Molecular weight
    368.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    405°C

    Flash point

    • 178.83 ˚C est.

  • Synonyms

    • OCTAN-2-YL HEXADECANOATE
    • 55194-81-5
    • DTXSID80600360
    • RefChem:1093791
    • DTXCID50551118
    • Octan-2-yl palmitate
    • Hexadecanoic acid, 1-methylheptyl ester
    • 1-methylheptyl hexadecanoate
    • SCHEMBL9768542
    • SCHEMBL27805415
    • CHEBI:183303
    • CHGJJXYCZVFOGE-UHFFFAOYSA-N
    • 55194-81-5

  • Applications

    Octan-2-yl hexadecanoate (CAS 55194-81-5) is a fatty, non-polar ester commonly used as an emollient and solvent in cosmetics and personal care products, providing slip and skin conditioning. In perfumery, it serves as a fragrance solvent and carrier, helping dissolve and blend aroma oils in formulations. It also functions as a plasticizer or processing aid in coatings, inks, and polymer systems, improving flexibility and handling, and as a lubricating additive in industrial manufacturing and specialty cleaners. In household products, it can act as a solvent or carrier for actives and surfactants, contributing to formulation stability. Overall, its main roles are as an emollient, solvent/carrier, and processing aid across cosmetics, fragrances, coatings/plastics, and industrial formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.05
    methanol 135.29
    isopropanol 219.44
    water 0.15
    ethyl acetate 1492.48
    n-propanol 246.09
    acetone 854.08
    n-butanol 336.32
    acetonitrile 317.65
    DMF 1092.33
    toluene 586.4
    isobutanol 310.11
    1,4-dioxane 1161.3
    methyl acetate 817.47
    THF 2584.3
    2-butanone 1157.06
    n-pentanol 228.06
    sec-butanol 373.53
    n-hexane 206.02
    ethylene glycol 11.16
    NMP 2963.68
    cyclohexane 1130.4
    DMSO 1060.3
    n-butyl acetate 1551.68
    n-octanol 347.15
    chloroform 3098.21
    n-propyl acetate 1589.78
    acetic acid 348.9
    dichloromethane 3509.0
    cyclohexanone 3759.68
    propylene glycol 39.29
    isopropyl acetate 1419.19
    DMAc 2204.85
    2-ethoxyethanol 423.09
    isopentanol 473.68
    n-heptane 197.1
    ethyl formate 538.35
    1,2-dichloroethane 2492.57
    n-hexanol 238.47
    2-methoxyethanol 441.54
    isobutyl acetate 1051.97
    tetrachloromethane 953.17
    n-pentyl acetate 2213.44
    transcutol 2269.38
    n-heptanol 289.4
    ethylbenzene 402.73
    MIBK 1272.35
    2-propoxyethanol 484.11
    tert-butanol 444.2
    MTBE 1039.72
    2-butoxyethanol 682.08
    propionic acid 422.43
    o-xylene 546.33
    formic acid 55.48
    diethyl ether 867.63
    m-xylene 440.17
    p-xylene 666.4
    chlorobenzene 1134.14
    dimethyl carbonate 299.04
    n-octane 96.67
    formamide 136.51
    cyclopentanone 3139.81
    2-pentanone 1371.63
    anisole 769.91
    cyclopentyl methyl ether 1981.76
    gamma-butyrolactone 2771.75
    1-methoxy-2-propanol 553.56
    pyridine 1417.2
    3-pentanone 1224.17
    furfural 1586.95
    n-dodecane 46.58
    diethylene glycol 154.14
    diisopropyl ether 507.03
    tert-amyl alcohol 619.31
    acetylacetone 1634.17
    n-hexadecane 60.75
    acetophenone 1024.45
    methyl propionate 997.96
    isopentyl acetate 1563.98
    trichloroethylene 3761.38
    n-nonanol 357.41
    cyclohexanol 1005.9
    benzyl alcohol 378.15
    2-ethylhexanol 381.08
    isooctanol 350.99
    dipropyl ether 936.17
    1,2-dichlorobenzene 1429.3
    ethyl lactate 413.71
    propylene carbonate 1664.38
    n-methylformamide 382.29
    2-pentanol 359.24
    n-pentane 138.05
    1-propoxy-2-propanol 636.65
    1-methoxy-2-propyl acetate 1216.8
    2-(2-methoxypropoxy) propanol 564.9
    mesitylene 373.09
    ε-caprolactone 3083.49
    p-cymene 348.24
    epichlorohydrin 2652.96
    1,1,1-trichloroethane 2983.66
    2-aminoethanol 54.74
    morpholine-4-carbaldehyde 1799.68
    sulfolane 4045.53
    2,2,4-trimethylpentane 142.48
    2-methyltetrahydrofuran 2550.73
    n-hexyl acetate 1902.72
    isooctane 75.26
    2-(2-butoxyethoxy)ethanol 768.64
    sec-butyl acetate 1286.19
    tert-butyl acetate 1779.06
    decalin 300.1
    glycerin 66.12
    diglyme 2117.7
    acrylic acid 252.23
    isopropyl myristate 595.82
    n-butyric acid 1125.78
    acetyl acetate 944.68
    di(2-ethylhexyl) phthalate 388.03
    ethyl propionate 1382.28
    nitromethane 965.28
    1,2-diethoxyethane 1449.04
    benzonitrile 685.72
    trioctyl phosphate 315.62
    1-bromopropane 1504.96
    gamma-valerolactone 3511.01
    n-decanol 220.78
    triethyl phosphate 671.84
    4-methyl-2-pentanol 284.6
    propionitrile 433.39
    vinylene carbonate 1203.02
    1,1,2-trichlorotrifluoroethane 1365.42
    DMS 901.94
    cumene 302.94
    2-octanol 343.73
    2-hexanone 1212.44
    octyl acetate 705.81
    limonene 765.69
    1,2-dimethoxyethane 1482.08
    ethyl orthosilicate 674.54
    tributyl phosphate 456.77
    diacetone alcohol 1128.13
    N,N-dimethylaniline 560.83
    acrylonitrile 401.2
    aniline 525.94
    1,3-propanediol 151.49
    bromobenzene 1432.41
    dibromomethane 2307.63
    1,1,2,2-tetrachloroethane 3583.3
    2-methyl-cyclohexyl acetate 1175.25
    tetrabutyl urea 698.45
    diisobutyl methanol 305.97
    2-phenylethanol 348.28
    styrene 496.48
    dioctyl adipate 885.35
    dimethyl sulfate 701.08
    ethyl butyrate 1546.97
    methyl lactate 306.25
    butyl lactate 985.72
    diethyl carbonate 764.46
    propanediol butyl ether 472.23
    triethyl orthoformate 1135.11
    p-tert-butyltoluene 315.49
    methyl 4-tert-butylbenzoate 1091.35
    morpholine 1580.98
    tert-butylamine 353.6
    n-dodecanol 154.73
    dimethoxymethane 697.46
    ethylene carbonate 1261.23
    cyrene 615.16
    2-ethoxyethyl acetate 1818.72
    2-ethylhexyl acetate 1451.24
    1,2,4-trichlorobenzene 1588.51
    4-methylpyridine 1540.91
    dibutyl ether 1261.75
    2,6-dimethyl-4-heptanol 305.97
    DEF 1925.66
    dimethyl isosorbide 1377.63
    tetrachloroethylene 2393.24
    eugenol 683.49
    triacetin 1615.9
    span 80 634.63
    1,4-butanediol 63.91
    1,1-dichloroethane 2086.7
    2-methyl-1-pentanol 341.2
    methyl formate 270.18
    2-methyl-1-butanol 438.66
    n-decane 121.02
    butyronitrile 592.62
    3,7-dimethyl-1-octanol 415.81
    1-chlorooctane 589.49
    1-chlorotetradecane 165.09
    n-nonane 122.03
    undecane 69.12
    tert-butylcyclohexane 197.97
    cyclooctane 257.69
    cyclopentanol 856.18
    tetrahydropyran 2305.96
    tert-amyl methyl ether 1054.88
    2,5,8-trioxanonane 1002.64
    1-hexene 418.46
    2-isopropoxyethanol 428.77
    2,2,2-trifluoroethanol 205.25
    methyl butyrate 1897.79

    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