Hexadecanoic acid, hexyl ester

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  • Identifiers

    CAS number
    42232-25-7

    Molecular formula
    C22H44O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 70.34%
    Waxy 69.65%
    Oily 68.94%
    Fruity 44.82%
    Sweet 34.86%
    Creamy 33.76%
    Floral 30.99%
    Winey 29.36%
    Odorless 29.03%
    Cognac 28.73%

     

    Flavor
    Waxy 69.04%
    Fatty 53.5%
    Oily 50.44%
    Mild 44.62%
    Soapy 41.65%
    Coconut 38.95%
    Fat 37.25%
    Creamy 33.57%
    Sweet 32.39%
    Fruity 30.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    7.32 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    393°C

    Flash point

    • 173.36 ˚C est.

  • Synonyms

    • Hexyl palmitate
    • Hexadecanoic acid, hexyl ester
    • 42232-25-7
    • EINECS 255-723-6
    • AI3-30711
    • DTXSID4068373
    • RefChem:786020
    • DTXCID3040069
    • 255-723-6
    • hexyl hexadecanoate
    • WE(6:0/16:0)
    • HEXADECANOIC ACID HEXYL ESTER
    • HJ6R3S9A6H
    • SCHEMBL81331
    • CHEBI:196300
    • LMFA07010472
    • NS00031135
    • Q63408906
    • 42232-25-7

  • Applications

    Hexadecanoic acid, hexyl ester (CAS 42232-25-7) is used in cosmetics and personal care as an emollient and solvent, helping to soften the skin and serve as a carrier for fragrance ingredients. It is also employed in perfumery formulations as a solvent and carrier for aroma compounds. In industrial manufacturing, it functions as a plasticizer and processing aid in coatings, inks, and polymer formulations, improving flexibility and processability of long-chain polymer systems. It may be used as an intermediate in chemical syntheses and can act as a lubricant or viscosity modifier in certain formulated products. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.45
    methanol 110.07
    isopropanol 174.16
    water 0.08
    ethyl acetate 1250.92
    n-propanol 185.28
    acetone 664.99
    n-butanol 259.8
    acetonitrile 269.87
    DMF 906.96
    toluene 446.07
    isobutanol 228.05
    1,4-dioxane 916.92
    methyl acetate 646.71
    THF 2130.85
    2-butanone 927.86
    n-pentanol 181.81
    sec-butanol 270.7
    n-hexane 142.95
    ethylene glycol 8.55
    NMP 2219.66
    cyclohexane 861.11
    DMSO 994.57
    n-butyl acetate 1374.66
    n-octanol 281.09
    chloroform 2501.5
    n-propyl acetate 1439.54
    acetic acid 268.87
    dichloromethane 2811.89
    cyclohexanone 3072.67
    propylene glycol 29.49
    isopropyl acetate 1225.9
    DMAc 1673.01
    2-ethoxyethanol 357.03
    isopentanol 374.64
    n-heptane 161.28
    ethyl formate 439.27
    1,2-dichloroethane 2123.13
    n-hexanol 192.41
    2-methoxyethanol 369.61
    isobutyl acetate 913.46
    tetrachloromethane 717.18
    n-pentyl acetate 1841.68
    transcutol 2145.66
    n-heptanol 230.05
    ethylbenzene 320.56
    MIBK 1093.15
    2-propoxyethanol 405.54
    tert-butanol 384.46
    MTBE 831.14
    2-butoxyethanol 579.81
    propionic acid 318.99
    o-xylene 426.54
    formic acid 40.99
    diethyl ether 705.9
    m-xylene 350.89
    p-xylene 537.17
    chlorobenzene 878.04
    dimethyl carbonate 240.06
    n-octane 76.99
    formamide 112.51
    cyclopentanone 2559.94
    2-pentanone 1149.55
    anisole 640.31
    cyclopentyl methyl ether 1580.21
    gamma-butyrolactone 2235.03
    1-methoxy-2-propanol 455.79
    pyridine 1188.15
    3-pentanone 972.97
    furfural 1354.91
    n-dodecane 37.72
    diethylene glycol 130.91
    diisopropyl ether 418.12
    tert-amyl alcohol 485.24
    acetylacetone 1401.52
    n-hexadecane 48.99
    acetophenone 850.89
    methyl propionate 798.51
    isopentyl acetate 1333.19
    trichloroethylene 3170.19
    n-nonanol 288.12
    cyclohexanol 775.56
    benzyl alcohol 308.92
    2-ethylhexanol 314.08
    isooctanol 278.22
    dipropyl ether 824.88
    1,2-dichlorobenzene 1150.29
    ethyl lactate 352.13
    propylene carbonate 1309.38
    n-methylformamide 312.26
    2-pentanol 279.83
    n-pentane 96.7
    1-propoxy-2-propanol 552.94
    1-methoxy-2-propyl acetate 1049.58
    2-(2-methoxypropoxy) propanol 485.59
    mesitylene 307.76
    ε-caprolactone 2458.13
    p-cymene 291.79
    epichlorohydrin 2203.6
    1,1,1-trichloroethane 2418.71
    2-aminoethanol 42.45
    morpholine-4-carbaldehyde 1484.53
    sulfolane 3307.65
    2,2,4-trimethylpentane 102.67
    2-methyltetrahydrofuran 1973.67
    n-hexyl acetate 1548.78
    isooctane 59.49
    2-(2-butoxyethoxy)ethanol 682.09
    sec-butyl acetate 1144.52
    tert-butyl acetate 1543.55
    decalin 230.71
    glycerin 52.59
    diglyme 1850.17
    acrylic acid 196.08
    isopropyl myristate 483.57
    n-butyric acid 901.49
    acetyl acetate 790.87
    di(2-ethylhexyl) phthalate 304.76
    ethyl propionate 1214.53
    nitromethane 798.37
    1,2-diethoxyethane 1304.14
    benzonitrile 570.67
    trioctyl phosphate 249.72
    1-bromopropane 1218.36
    gamma-valerolactone 2907.55
    n-decanol 177.35
    triethyl phosphate 561.32
    4-methyl-2-pentanol 234.18
    propionitrile 367.35
    vinylene carbonate 966.35
    1,1,2-trichlorotrifluoroethane 1143.62
    DMS 719.6
    cumene 244.04
    2-octanol 271.38
    2-hexanone 1036.67
    octyl acetate 562.03
    limonene 631.74
    1,2-dimethoxyethane 1349.68
    ethyl orthosilicate 560.09
    tributyl phosphate 370.36
    diacetone alcohol 973.21
    N,N-dimethylaniline 463.1
    acrylonitrile 350.57
    aniline 398.07
    1,3-propanediol 119.32
    bromobenzene 1103.55
    dibromomethane 1854.59
    1,1,2,2-tetrachloroethane 3097.79
    2-methyl-cyclohexyl acetate 956.81
    tetrabutyl urea 570.34
    diisobutyl methanol 271.92
    2-phenylethanol 291.73
    styrene 402.65
    dioctyl adipate 720.99
    dimethyl sulfate 549.7
    ethyl butyrate 1390.1
    methyl lactate 246.77
    butyl lactate 818.37
    diethyl carbonate 663.47
    propanediol butyl ether 399.27
    triethyl orthoformate 968.16
    p-tert-butyltoluene 265.46
    methyl 4-tert-butylbenzoate 900.07
    morpholine 1302.6
    tert-butylamine 291.43
    n-dodecanol 124.73
    dimethoxymethane 597.02
    ethylene carbonate 986.8
    cyrene 513.24
    2-ethoxyethyl acetate 1555.11
    2-ethylhexyl acetate 1212.42
    1,2,4-trichlorobenzene 1267.96
    4-methylpyridine 1231.72
    dibutyl ether 1091.78
    2,6-dimethyl-4-heptanol 271.92
    DEF 1595.71
    dimethyl isosorbide 1209.32
    tetrachloroethylene 2019.41
    eugenol 571.25
    triacetin 1308.71
    span 80 524.77
    1,4-butanediol 49.47
    1,1-dichloroethane 1706.19
    2-methyl-1-pentanol 270.97
    methyl formate 218.7
    2-methyl-1-butanol 329.59
    n-decane 97.08
    butyronitrile 508.45
    3,7-dimethyl-1-octanol 337.66
    1-chlorooctane 478.15
    1-chlorotetradecane 134.44
    n-nonane 98.45
    undecane 55.76
    tert-butylcyclohexane 153.57
    cyclooctane 194.92
    cyclopentanol 638.61
    tetrahydropyran 1813.16
    tert-amyl methyl ether 831.92
    2,5,8-trioxanonane 913.96
    1-hexene 320.6
    2-isopropoxyethanol 372.78
    2,2,2-trifluoroethanol 152.06
    methyl butyrate 1682.6

    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