2-Hexadecylicosanoic acid

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  • Identifiers

    CAS number
    56253-91-9

    Molecular formula
    C36H72O2

    SMILES
    CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 79.29%
    Fatty 58.45%
    Oily 40.81%
    Odorless 32.04%
    Fishy 19.16%
    Savory 18.74%
    Meaty 18.43%
    Creamy 16.72%
    Balsamic 15.99%
    Woody 15.29%

     

    Flavor
    Waxy 45.71%
    Bland 35.92%
    Mild 34.85%
    Fatty 30.83%
    Faint 29.51%
    Alkane 28.07%
    Odorless 25.24%
    Slightly waxy 23.67%
    Fat 21.71%
    Delicate 21.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.3

    pKa est.
    8.95 (weak base)

    Molecular weight
    537.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    609°C

    Flash point

    • 272.2 ˚C est.

  • Synonyms

    • 2-Hexadecylicosanoic acid
    • 56253-91-9
    • EINECS 260-078-9
    • 2-hexadecyleicosanoic acid
    • SCHEMBL42774
    • DTXSID80971683
    • IJBWKGHEXLOTPU-UHFFFAOYSA-N
    • NS00055197
    • 56253-91-9

  • Applications

    2-Hexadecylicosanoic acid (CAS 56253-91-9) is primarily used as a building block to synthesize esters and surfactants for detergent and cosmetic systems, and may function as a lubricant and softening agent for polymers, plastics, paper and coatings; it also serves as a wax-forming and surface-treatment component in coatings and inks, and as a precursor for plasticizers and stabilizers used in polymer processing; in cosmetics it can be used directly as an emollient or converted to esters to improve skin feel; due to its long-chain fatty acid character, it may be employed as an intermediate in cleaning formulations and household products, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.61
    methanol 4.26
    isopropanol 3.93
    water 0.05
    ethyl acetate 40.08
    n-propanol 6.07
    acetone 21.87
    n-butanol 7.26
    acetonitrile 5.41
    DMF 45.11
    toluene 20.42
    isobutanol 6.44
    1,4-dioxane 45.24
    methyl acetate 24.61
    THF 162.76
    2-butanone 39.03
    n-pentanol 8.08
    sec-butanol 8.54
    n-hexane 7.63
    ethylene glycol 0.51
    NMP 238.87
    cyclohexane 30.15
    DMSO 57.58
    n-butyl acetate 60.71
    n-octanol 20.61
    chloroform 145.61
    n-propyl acetate 56.08
    acetic acid 13.93
    dichloromethane 137.49
    cyclohexanone 160.66
    propylene glycol 1.73
    isopropyl acetate 50.31
    DMAc 142.9
    2-ethoxyethanol 20.06
    isopentanol 10.63
    n-heptane 9.16
    ethyl formate 17.96
    1,2-dichloroethane 85.88
    n-hexanol 8.86
    2-methoxyethanol 17.28
    isobutyl acetate 44.71
    tetrachloromethane 47.79
    n-pentyl acetate 128.26
    transcutol 167.82
    n-heptanol 17.6
    ethylbenzene 20.47
    MIBK 47.19
    2-propoxyethanol 25.26
    tert-butanol 10.29
    MTBE 33.01
    2-butoxyethanol 47.81
    propionic acid 14.66
    o-xylene 25.2
    formic acid 3.39
    diethyl ether 18.94
    m-xylene 19.61
    p-xylene 30.05
    chlorobenzene 42.38
    dimethyl carbonate 18.27
    n-octane 6.0
    formamide 6.82
    cyclopentanone 169.24
    2-pentanone 40.63
    anisole 37.22
    cyclopentyl methyl ether 92.66
    gamma-butyrolactone 158.8
    1-methoxy-2-propanol 23.06
    pyridine 56.65
    3-pentanone 45.81
    furfural 99.69
    n-dodecane 2.83
    diethylene glycol 8.41
    diisopropyl ether 17.82
    tert-amyl alcohol 19.55
    acetylacetone 70.02
    n-hexadecane 3.46
    acetophenone 62.06
    methyl propionate 36.24
    isopentyl acetate 73.39
    trichloroethylene 161.6
    n-nonanol 23.72
    cyclohexanol 25.73
    benzyl alcohol 17.14
    2-ethylhexanol 16.59
    isooctanol 22.64
    dipropyl ether 43.75
    1,2-dichlorobenzene 65.38
    ethyl lactate 26.78
    propylene carbonate 108.11
    n-methylformamide 13.77
    2-pentanol 8.37
    n-pentane 4.14
    1-propoxy-2-propanol 38.04
    1-methoxy-2-propyl acetate 79.04
    2-(2-methoxypropoxy) propanol 59.34
    mesitylene 18.87
    ε-caprolactone 161.22
    p-cymene 22.59
    epichlorohydrin 136.89
    1,1,1-trichloroethane 121.52
    2-aminoethanol 2.23
    morpholine-4-carbaldehyde 105.98
    sulfolane 346.74
    2,2,4-trimethylpentane 8.24
    2-methyltetrahydrofuran 115.46
    n-hexyl acetate 108.43
    isooctane 3.96
    2-(2-butoxyethoxy)ethanol 68.65
    sec-butyl acetate 57.33
    tert-butyl acetate 91.66
    decalin 14.56
    glycerin 4.02
    diglyme 171.76
    acrylic acid 10.71
    isopropyl myristate 38.35
    n-butyric acid 35.17
    acetyl acetate 36.72
    di(2-ethylhexyl) phthalate 30.82
    ethyl propionate 57.85
    nitromethane 33.94
    1,2-diethoxyethane 80.22
    benzonitrile 24.03
    trioctyl phosphate 23.58
    1-bromopropane 46.76
    gamma-valerolactone 212.38
    n-decanol 14.09
    triethyl phosphate 60.81
    4-methyl-2-pentanol 9.98
    propionitrile 9.13
    vinylene carbonate 72.73
    1,1,2-trichlorotrifluoroethane 101.49
    DMS 53.51
    cumene 17.89
    2-octanol 20.36
    2-hexanone 51.46
    octyl acetate 43.17
    limonene 39.82
    1,2-dimethoxyethane 67.2
    ethyl orthosilicate 60.95
    tributyl phosphate 33.23
    diacetone alcohol 66.91
    N,N-dimethylaniline 36.67
    acrylonitrile 9.29
    aniline 17.21
    1,3-propanediol 4.97
    bromobenzene 55.08
    dibromomethane 86.15
    1,1,2,2-tetrachloroethane 183.9
    2-methyl-cyclohexyl acetate 86.89
    tetrabutyl urea 55.48
    diisobutyl methanol 18.04
    2-phenylethanol 18.81
    styrene 20.96
    dioctyl adipate 69.67
    dimethyl sulfate 61.33
    ethyl butyrate 80.2
    methyl lactate 19.41
    butyl lactate 77.74
    diethyl carbonate 45.89
    propanediol butyl ether 35.53
    triethyl orthoformate 82.4
    p-tert-butyltoluene 22.76
    methyl 4-tert-butylbenzoate 110.28
    morpholine 57.04
    tert-butylamine 8.61
    n-dodecanol 9.28
    dimethoxymethane 31.78
    ethylene carbonate 64.75
    cyrene 67.56
    2-ethoxyethyl acetate 120.77
    2-ethylhexyl acetate 70.01
    1,2,4-trichlorobenzene 88.06
    4-methylpyridine 52.35
    dibutyl ether 57.54
    2,6-dimethyl-4-heptanol 18.04
    DEF 66.71
    dimethyl isosorbide 170.32
    tetrachloroethylene 111.17
    eugenol 68.08
    triacetin 127.86
    span 80 57.86
    1,4-butanediol 2.68
    1,1-dichloroethane 61.57
    2-methyl-1-pentanol 13.42
    methyl formate 11.87
    2-methyl-1-butanol 11.26
    n-decane 7.25
    butyronitrile 11.45
    3,7-dimethyl-1-octanol 25.02
    1-chlorooctane 31.18
    1-chlorotetradecane 8.87
    n-nonane 6.96
    undecane 4.2
    tert-butylcyclohexane 11.03
    cyclooctane 10.89
    cyclopentanol 26.28
    tetrahydropyran 75.34
    tert-amyl methyl ether 44.91
    2,5,8-trioxanonane 94.53
    1-hexene 13.9
    2-isopropoxyethanol 20.54
    2,2,2-trifluoroethanol 11.55
    methyl butyrate 77.35

    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