11-Hydroxyhexadecanoic acid

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  • Identifiers

    CAS number
    502-75-0

    Molecular formula
    C16H32O3

    SMILES
    CCCCCC(CCCCCCCCCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 57.02%
    Oily 50.97%
    Waxy 48.72%
    Citrus 41.31%
    Fresh 37.54%
    Fruity 35.64%
    Dairy 32.93%
    Lactonic 32.85%
    Coconut 32.82%
    Milky 32.58%

     

    Flavor
    Fatty 56.98%
    Waxy 48.55%
    Oily 37.27%
    Fat 35.08%
    Mild 34.74%
    Soapy 29.13%
    Green 28.76%
    Coconut 28.24%
    Floral 27.53%
    Odorless 27.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.48 (neutral)

    Molecular weight
    272.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 187.67 ˚C est.

  • Synonyms

    • 11-Hydroxyhexadecanoic acid
    • 502-75-0
    • DTXSID60964533
    • RefChem:1057364
    • DTXCID001392228
    • Jalapinolic acid
    • Hexadecanoic acid, 11-hydroxy-
    • Jalapinoic acid
    • Builic acid
    • 11-hydroxy palmitic acid
    • 11-hydroxy-hexadecanoic acid
    • jalapinolsaure
    • SCHEMBL316792
    • orb1304405
    • CHEBI:196262
    • YNQGVRJFSHTULP-UHFFFAOYSA-N
    • LMFA01050049
    • AKOS040752149
    • TS-08737
    • HY-116825
    • CS-0066610
    • 502-75-0

  • Applications

    11-Hydroxyhexadecanoic acid is a long-chain fatty acid (C16) with a hydroxyl group at position 11 and a carboxyl group at one end, used as a building block for biobased and conventional polymers, notably polyesters and polyurethanes, supporting industrial materials production. It can be esterified to give long-chain fatty esters that serve as emollients and surfactants in cosmetics and personal care. With both hydroxyl and carboxyl functionalities, it also acts as a precursor for specialty esters and lubricant additives for lubrication formulations. Additionally, as a functional monomer, it may be used in coatings and inks to improve adhesion and compatibility with oil- and fat-based systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 325.33
    methanol 366.52
    isopropanol 283.35
    water 0.03
    ethyl acetate 149.44
    n-propanol 221.69
    acetone 200.4
    n-butanol 222.82
    acetonitrile 42.09
    DMF 377.03
    toluene 39.87
    isobutanol 190.02
    1,4-dioxane 257.89
    methyl acetate 85.84
    THF 988.44
    2-butanone 170.51
    n-pentanol 196.13
    sec-butanol 192.64
    n-hexane 28.54
    ethylene glycol 18.48
    NMP 415.64
    cyclohexane 40.48
    DMSO 906.76
    n-butyl acetate 276.04
    n-octanol 102.01
    chloroform 173.03
    n-propyl acetate 250.88
    acetic acid 115.23
    dichloromethane 174.71
    cyclohexanone 462.11
    propylene glycol 70.06
    isopropyl acetate 201.03
    DMAc 364.37
    2-ethoxyethanol 323.95
    isopentanol 265.45
    n-heptane 17.22
    ethyl formate 87.32
    1,2-dichloroethane 192.81
    n-hexanol 186.42
    2-methoxyethanol 411.69
    isobutyl acetate 191.29
    tetrachloromethane 39.6
    n-pentyl acetate 242.66
    transcutol 1134.88
    n-heptanol 113.89
    ethylbenzene 46.17
    MIBK 251.25
    2-propoxyethanol 355.01
    tert-butanol 415.82
    MTBE 270.57
    2-butoxyethanol 274.06
    propionic acid 111.84
    o-xylene 47.98
    formic acid 35.94
    diethyl ether 163.7
    m-xylene 50.08
    p-xylene 60.02
    chlorobenzene 67.58
    dimethyl carbonate 35.48
    n-octane 8.18
    formamide 62.38
    cyclopentanone 487.19
    2-pentanone 243.1
    anisole 110.7
    cyclopentyl methyl ether 336.34
    gamma-butyrolactone 422.99
    1-methoxy-2-propanol 442.5
    pyridine 149.74
    3-pentanone 117.04
    furfural 284.27
    n-dodecane 5.89
    diethylene glycol 182.89
    diisopropyl ether 79.3
    tert-amyl alcohol 283.46
    acetylacetone 266.2
    n-hexadecane 6.86
    acetophenone 144.08
    methyl propionate 106.67
    isopentyl acetate 293.14
    trichloroethylene 253.71
    n-nonanol 97.04
    cyclohexanol 238.91
    benzyl alcohol 102.51
    2-ethylhexanol 135.04
    isooctanol 112.39
    dipropyl ether 180.06
    1,2-dichlorobenzene 84.89
    ethyl lactate 104.1
    propylene carbonate 221.4
    n-methylformamide 122.35
    2-pentanol 166.76
    n-pentane 13.34
    1-propoxy-2-propanol 330.68
    1-methoxy-2-propyl acetate 265.72
    2-(2-methoxypropoxy) propanol 210.25
    mesitylene 43.72
    ε-caprolactone 386.73
    p-cymene 41.66
    epichlorohydrin 422.69
    1,1,1-trichloroethane 144.75
    2-aminoethanol 96.96
    morpholine-4-carbaldehyde 376.56
    sulfolane 779.77
    2,2,4-trimethylpentane 14.73
    2-methyltetrahydrofuran 468.78
    n-hexyl acetate 247.71
    isooctane 12.65
    2-(2-butoxyethoxy)ethanol 347.23
    sec-butyl acetate 193.67
    tert-butyl acetate 303.17
    decalin 24.19
    glycerin 102.82
    diglyme 637.06
    acrylic acid 60.76
    isopropyl myristate 87.77
    n-butyric acid 298.49
    acetyl acetate 90.36
    di(2-ethylhexyl) phthalate 79.84
    ethyl propionate 161.84
    nitromethane 183.04
    1,2-diethoxyethane 323.29
    benzonitrile 92.11
    trioctyl phosphate 67.36
    1-bromopropane 116.55
    gamma-valerolactone 651.81
    n-decanol 65.91
    triethyl phosphate 89.39
    4-methyl-2-pentanol 133.62
    propionitrile 59.46
    vinylene carbonate 138.72
    1,1,2-trichlorotrifluoroethane 293.79
    DMS 104.08
    cumene 43.38
    2-octanol 86.01
    2-hexanone 257.73
    octyl acetate 106.39
    limonene 77.14
    1,2-dimethoxyethane 515.18
    ethyl orthosilicate 96.37
    tributyl phosphate 85.3
    diacetone alcohol 370.72
    N,N-dimethylaniline 94.02
    acrylonitrile 58.67
    aniline 71.4
    1,3-propanediol 202.28
    bromobenzene 67.25
    dibromomethane 128.52
    1,1,2,2-tetrachloroethane 291.32
    2-methyl-cyclohexyl acetate 182.52
    tetrabutyl urea 119.38
    diisobutyl methanol 85.75
    2-phenylethanol 117.9
    styrene 49.54
    dioctyl adipate 142.07
    dimethyl sulfate 100.14
    ethyl butyrate 196.21
    methyl lactate 93.82
    butyl lactate 198.72
    diethyl carbonate 93.94
    propanediol butyl ether 244.02
    triethyl orthoformate 153.14
    p-tert-butyltoluene 43.93
    methyl 4-tert-butylbenzoate 173.02
    morpholine 483.76
    tert-butylamine 215.34
    n-dodecanol 45.92
    dimethoxymethane 243.41
    ethylene carbonate 136.49
    cyrene 195.86
    2-ethoxyethyl acetate 248.16
    2-ethylhexyl acetate 212.71
    1,2,4-trichlorobenzene 101.73
    4-methylpyridine 154.18
    dibutyl ether 174.4
    2,6-dimethyl-4-heptanol 85.75
    DEF 270.06
    dimethyl isosorbide 378.05
    tetrachloroethylene 181.27
    eugenol 157.38
    triacetin 222.74
    span 80 208.35
    1,4-butanediol 74.95
    1,1-dichloroethane 131.94
    2-methyl-1-pentanol 183.1
    methyl formate 59.42
    2-methyl-1-butanol 190.71
    n-decane 13.05
    butyronitrile 111.29
    3,7-dimethyl-1-octanol 117.68
    1-chlorooctane 67.78
    1-chlorotetradecane 20.73
    n-nonane 12.12
    undecane 8.21
    tert-butylcyclohexane 22.95
    cyclooctane 12.25
    cyclopentanol 264.95
    tetrahydropyran 431.97
    tert-amyl methyl ether 195.36
    2,5,8-trioxanonane 380.23
    1-hexene 97.64
    2-isopropoxyethanol 270.69
    2,2,2-trifluoroethanol 37.85
    methyl butyrate 259.88

    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