2-Hexadecyl-3-hydroxyicosanoic acid

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  • Identifiers

    CAS number
    74124-36-0

    Molecular formula
    C36H72O3

    SMILES
    CCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCC)C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.39%
    Fatty 57.58%
    Oily 45.72%
    Odorless 32.85%
    Woody 22.53%
    Balsamic 20.5%
    Creamy 18.63%
    Fishy 18.6%
    Savory 17.94%
    Milky 17.36%

     

    Flavor
    Waxy 39.69%
    Bland 38.27%
    Mild 36.47%
    Fatty 33.22%
    Faint 30.93%
    Odorless 29.54%
    Slightly waxy 23.85%
    Fat 22.65%
    Delicate 21.91%
    Bay oil 21.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.4

    pKa est.
    7.96 (neutral)

    Molecular weight
    553.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    719°C

    Flash point

    • 268.24 ˚C est.

  • Synonyms

    • 2-Hexadecyl-3-hydroxyicosanoic acid
    • 74124-36-0
    • EINECS 277-729-8
    • SCHEMBL3166949
    • DTXSID70995570
    • KUBWXAZCUFSNLT-UHFFFAOYSA-N
    • 2-hexadecyl-3-hydroxy-eicosanoic acid
    • NS00059444
    • 74124-36-0

  • Applications

    2-Hexadecyl-3-hydroxyicosanoic acid, CAS 74124-36-0, is a long-chain hydroxy fatty acid derivative typically used as an intermediate and building block for specialty esters and surfactant-related compounds. In cosmetics and personal care, it is commonly regarded as a waxy constituent or ester base to impart conditioning and moisturizing properties. In the surfactants and industrial cleaning space, it can serve as a precursor for ester- or ethoxylate-containing surfactants and customized surface-active formulations. In polymers and plastics, it may act as a functional monomer or a plasticizer for biobased polymers or conventional polymers. In coatings and inks, it can be used as a fatty-acid–based additive to improve film formation and adhesion properties. In lubricants, it can be a precursor to lubricant esters for metalworking fluids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.16
    methanol 10.89
    isopropanol 9.68
    water 0.18
    ethyl acetate 56.53
    n-propanol 13.99
    acetone 44.76
    n-butanol 14.44
    acetonitrile 10.09
    DMF 92.16
    toluene 30.88
    isobutanol 14.38
    1,4-dioxane 75.09
    methyl acetate 40.16
    THF 282.22
    2-butanone 64.11
    n-pentanol 14.44
    sec-butanol 17.23
    n-hexane 10.34
    ethylene glycol 1.57
    NMP 404.47
    cyclohexane 41.74
    DMSO 132.64
    n-butyl acetate 75.84
    n-octanol 29.85
    chloroform 185.35
    n-propyl acetate 75.05
    acetic acid 32.52
    dichloromethane 173.69
    cyclohexanone 240.48
    propylene glycol 4.71
    isopropyl acetate 66.56
    DMAc 240.68
    2-ethoxyethanol 34.12
    isopentanol 18.78
    n-heptane 11.2
    ethyl formate 30.38
    1,2-dichloroethane 118.93
    n-hexanol 14.95
    2-methoxyethanol 35.43
    isobutyl acetate 58.17
    tetrachloromethane 62.99
    n-pentyl acetate 152.51
    transcutol 207.81
    n-heptanol 27.28
    ethylbenzene 26.86
    MIBK 66.48
    2-propoxyethanol 41.24
    tert-butanol 22.25
    MTBE 45.61
    2-butoxyethanol 71.8
    propionic acid 31.46
    o-xylene 35.17
    formic acid 9.28
    diethyl ether 28.69
    m-xylene 27.52
    p-xylene 38.11
    chlorobenzene 57.65
    dimethyl carbonate 32.76
    n-octane 7.02
    formamide 17.02
    cyclopentanone 277.88
    2-pentanone 63.77
    anisole 46.95
    cyclopentyl methyl ether 142.6
    gamma-butyrolactone 261.76
    1-methoxy-2-propanol 43.79
    pyridine 89.3
    3-pentanone 68.7
    furfural 155.75
    n-dodecane 3.31
    diethylene glycol 16.32
    diisopropyl ether 22.81
    tert-amyl alcohol 34.89
    acetylacetone 107.03
    n-hexadecane 4.05
    acetophenone 82.31
    methyl propionate 58.66
    isopentyl acetate 89.01
    trichloroethylene 216.42
    n-nonanol 32.79
    cyclohexanol 48.43
    benzyl alcohol 27.32
    2-ethylhexanol 23.78
    isooctanol 33.04
    dipropyl ether 54.65
    1,2-dichlorobenzene 80.87
    ethyl lactate 40.96
    propylene carbonate 161.34
    n-methylformamide 30.34
    2-pentanol 15.53
    n-pentane 6.32
    1-propoxy-2-propanol 56.24
    1-methoxy-2-propyl acetate 98.32
    2-(2-methoxypropoxy) propanol 75.31
    mesitylene 24.54
    ε-caprolactone 237.93
    p-cymene 26.71
    epichlorohydrin 204.72
    1,1,1-trichloroethane 160.31
    2-aminoethanol 5.89
    morpholine-4-carbaldehyde 170.04
    sulfolane 591.13
    2,2,4-trimethylpentane 10.08
    2-methyltetrahydrofuran 175.76
    n-hexyl acetate 132.39
    isooctane 4.71
    2-(2-butoxyethoxy)ethanol 91.76
    sec-butyl acetate 69.51
    tert-butyl acetate 114.52
    decalin 18.79
    glycerin 10.51
    diglyme 206.7
    acrylic acid 23.99
    isopropyl myristate 45.54
    n-butyric acid 63.09
    acetyl acetate 51.31
    di(2-ethylhexyl) phthalate 40.87
    ethyl propionate 73.76
    nitromethane 64.86
    1,2-diethoxyethane 93.17
    benzonitrile 35.11
    trioctyl phosphate 32.31
    1-bromopropane 61.86
    gamma-valerolactone 317.76
    n-decanol 19.61
    triethyl phosphate 67.16
    4-methyl-2-pentanol 15.7
    propionitrile 15.14
    vinylene carbonate 112.62
    1,1,2-trichlorotrifluoroethane 162.57
    DMS 71.19
    cumene 22.63
    2-octanol 29.23
    2-hexanone 70.17
    octyl acetate 55.25
    limonene 48.48
    1,2-dimethoxyethane 93.05
    ethyl orthosilicate 66.35
    tributyl phosphate 42.38
    diacetone alcohol 100.08
    N,N-dimethylaniline 47.63
    acrylonitrile 16.6
    aniline 30.13
    1,3-propanediol 11.61
    bromobenzene 68.75
    dibromomethane 111.58
    1,1,2,2-tetrachloroethane 235.19
    2-methyl-cyclohexyl acetate 102.09
    tetrabutyl urea 71.03
    diisobutyl methanol 22.6
    2-phenylethanol 27.73
    styrene 27.21
    dioctyl adipate 84.26
    dimethyl sulfate 105.48
    ethyl butyrate 91.77
    methyl lactate 37.87
    butyl lactate 105.5
    diethyl carbonate 51.97
    propanediol butyl ether 56.21
    triethyl orthoformate 90.77
    p-tert-butyltoluene 27.05
    methyl 4-tert-butylbenzoate 133.54
    morpholine 102.16
    tert-butylamine 16.58
    n-dodecanol 12.91
    dimethoxymethane 57.1
    ethylene carbonate 102.92
    cyrene 96.17
    2-ethoxyethyl acetate 148.24
    2-ethylhexyl acetate 82.58
    1,2,4-trichlorobenzene 110.29
    4-methylpyridine 75.86
    dibutyl ether 65.2
    2,6-dimethyl-4-heptanol 22.6
    DEF 98.65
    dimethyl isosorbide 206.75
    tetrachloroethylene 151.98
    eugenol 88.03
    triacetin 151.72
    span 80 78.91
    1,4-butanediol 5.7
    1,1-dichloroethane 86.86
    2-methyl-1-pentanol 20.87
    methyl formate 25.82
    2-methyl-1-butanol 20.26
    n-decane 8.57
    butyronitrile 18.35
    3,7-dimethyl-1-octanol 31.47
    1-chlorooctane 37.25
    1-chlorotetradecane 10.68
    n-nonane 8.13
    undecane 4.96
    tert-butylcyclohexane 13.56
    cyclooctane 14.46
    cyclopentanol 56.5
    tetrahydropyran 126.69
    tert-amyl methyl ether 58.77
    2,5,8-trioxanonane 119.36
    1-hexene 19.58
    2-isopropoxyethanol 32.94
    2,2,2-trifluoroethanol 24.65
    methyl butyrate 101.59

    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