9,10,16-Trihydroxyhexadecanoic acid

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  • Identifiers

    CAS number
    18951-77-4

    Molecular formula
    C16H32O5

    SMILES
    C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.11%
    Oily 32.65%
    Sweet 32.61%
    Fresh 28.47%
    Fatty 23.46%
    Lactonic 23.39%
    Alcoholic 22.92%
    Fishy 22.51%
    Milky 22.36%
    Peach 22.36%

     

    Flavor
    Odorless 45.86%
    Fatty 37.27%
    Mild 34.09%
    Sweet 32.08%
    Waxy 31.15%
    Oily 29.31%
    Sweet-like 24.57%
    Fruity 23.98%
    Bland 23.24%
    Bay oil 22.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.24 (neutral)

    Molecular weight
    304.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    496°C

    Flash point

    • 229.99 ˚C est.

  • Synonyms

    • 9,10,16-Trihydroxyhexadecanoic acid
    • DTXSID90862139
    • 18951-77-4
    • RefChem:107439
    • DTXCID80810947
    • 533-87-9
    • Aleuritic acid
    • 6949-98-0
    • ALEURETIC ACID
    • HEXADECANOIC ACID, 9,10,16-TRIHYDROXY-
    • 9,10,16-trihydroxy palmitic acid
    • 9,10,16-trihydroxy-hexadecanoic acid
    • C16H32O5
    • .alpha.-Aleuritic acid
    • (+/-)-erythro-Aleuritic acid;alpha-Aleuritic acid
    • NSC-25150
    • beta-Aleuritic acid
    • (.+/-.)-Aleuritic acid
    • SCHEMBL284714
    • CHEBI:177476
    • HMS5084N07
    • HY-N7076
    • NSC25150
    • 9,10,16-Trihydroxyhexadecanoicacid
    • BBL033550
    • LMFA01050101
    • NSC 25150
    • STL372740
    • AKOS025247945
    • CCG-214261
    • CS-W012097
    • HY-W992515
    • 9,10,16-Trihydroxyhexadecanoic acid #
    • VS-12140
    • NS00013349
    • Hexadecanoic acid, 9,10,16-trihydroxy-, (R*,S*)-(.+/-.)-
    • 533-87-9

  • Applications

    Chemical name: 9,10,16-Trihydroxyhexadecanoic acid; CAS number: 18951-77-4. This polyhydroxy fatty acid is primarily used as a building block for polyols in polyurethane formulations, enabling crosslinking in coatings, adhesives and foams. It is commonly evaluated as an intermediate for ester derivatives that act as surfactants or emulsifiers in cosmetics and household products, and it can function as a humectant or functional polyol in personal-care formulations. In industrial plastics, it serves as a precursor for polyesters and other biodegradable polymers, and may act as a crosslinker or plasticizer-compatible component in coatings and inks. Depending on formulation needs and regulatory constraints, it may be used as a specialty intermediate in lubricants or other process chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.53
    methanol 84.79
    isopropanol 11.13
    water 0.96
    ethyl acetate 5.75
    n-propanol 14.3
    acetone 10.25
    n-butanol 12.04
    acetonitrile 1.52
    DMF 75.86
    toluene 2.08
    isobutanol 9.28
    1,4-dioxane 21.83
    methyl acetate 3.74
    THF 82.48
    2-butanone 6.25
    n-pentanol 12.5
    sec-butanol 8.26
    n-hexane 0.76
    ethylene glycol 17.91
    NMP 117.29
    cyclohexane 1.9
    DMSO 392.08
    n-butyl acetate 8.78
    n-octanol 11.91
    chloroform 4.7
    n-propyl acetate 9.14
    acetic acid 39.08
    dichloromethane 4.45
    cyclohexanone 38.91
    propylene glycol 28.01
    isopropyl acetate 9.3
    DMAc 103.55
    2-ethoxyethanol 64.09
    isopentanol 15.27
    n-heptane 1.01
    ethyl formate 6.58
    1,2-dichloroethane 6.55
    n-hexanol 11.92
    2-methoxyethanol 97.55
    isobutyl acetate 7.04
    tetrachloromethane 1.86
    n-pentyl acetate 12.25
    transcutol 197.33
    n-heptanol 14.06
    ethylbenzene 3.09
    MIBK 14.16
    2-propoxyethanol 52.25
    tert-butanol 22.86
    MTBE 6.98
    2-butoxyethanol 44.66
    propionic acid 17.42
    o-xylene 4.36
    formic acid 49.16
    diethyl ether 3.53
    m-xylene 4.01
    p-xylene 3.5
    chlorobenzene 2.41
    dimethyl carbonate 6.96
    n-octane 0.75
    formamide 59.16
    cyclopentanone 47.45
    2-pentanone 9.91
    anisole 7.64
    cyclopentyl methyl ether 24.84
    gamma-butyrolactone 53.17
    1-methoxy-2-propanol 72.43
    pyridine 9.34
    3-pentanone 5.99
    furfural 43.72
    n-dodecane 0.54
    diethylene glycol 61.67
    diisopropyl ether 3.13
    tert-amyl alcohol 16.8
    acetylacetone 26.22
    n-hexadecane 0.59
    acetophenone 15.37
    methyl propionate 7.7
    isopentyl acetate 12.19
    trichloroethylene 11.11
    n-nonanol 12.26
    cyclohexanol 20.52
    benzyl alcohol 12.83
    2-ethylhexanol 8.42
    isooctanol 12.25
    dipropyl ether 7.08
    1,2-dichlorobenzene 4.5
    ethyl lactate 16.05
    propylene carbonate 25.85
    n-methylformamide 28.04
    2-pentanol 7.66
    n-pentane 0.46
    1-propoxy-2-propanol 38.28
    1-methoxy-2-propyl acetate 23.67
    2-(2-methoxypropoxy) propanol 44.47
    mesitylene 3.79
    ε-caprolactone 40.48
    p-cymene 3.8
    epichlorohydrin 30.53
    1,1,1-trichloroethane 3.65
    2-aminoethanol 38.84
    morpholine-4-carbaldehyde 95.3
    sulfolane 170.09
    2,2,4-trimethylpentane 0.85
    2-methyltetrahydrofuran 24.33
    n-hexyl acetate 16.64
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 72.57
    sec-butyl acetate 7.87
    tert-butyl acetate 20.5
    decalin 1.59
    glycerin 69.92
    diglyme 107.21
    acrylic acid 17.57
    isopropyl myristate 7.1
    n-butyric acid 24.53
    acetyl acetate 7.29
    di(2-ethylhexyl) phthalate 12.06
    ethyl propionate 7.67
    nitromethane 34.68
    1,2-diethoxyethane 19.87
    benzonitrile 6.13
    trioctyl phosphate 9.78
    1-bromopropane 2.15
    gamma-valerolactone 96.18
    n-decanol 8.33
    triethyl phosphate 9.61
    4-methyl-2-pentanol 9.11
    propionitrile 2.05
    vinylene carbonate 16.91
    1,1,2-trichlorotrifluoroethane 64.32
    DMS 12.78
    cumene 3.49
    2-octanol 8.08
    2-hexanone 10.04
    octyl acetate 9.32
    limonene 5.71
    1,2-dimethoxyethane 57.29
    ethyl orthosilicate 9.83
    tributyl phosphate 10.41
    diacetone alcohol 50.9
    N,N-dimethylaniline 10.7
    acrylonitrile 3.5
    aniline 5.86
    1,3-propanediol 52.86
    bromobenzene 2.14
    dibromomethane 2.87
    1,1,2,2-tetrachloroethane 14.36
    2-methyl-cyclohexyl acetate 15.52
    tetrabutyl urea 16.82
    diisobutyl methanol 7.39
    2-phenylethanol 12.62
    styrene 2.52
    dioctyl adipate 15.72
    dimethyl sulfate 25.36
    ethyl butyrate 9.49
    methyl lactate 24.58
    butyl lactate 24.83
    diethyl carbonate 5.84
    propanediol butyl ether 54.77
    triethyl orthoformate 11.49
    p-tert-butyltoluene 4.31
    methyl 4-tert-butylbenzoate 30.61
    morpholine 41.09
    tert-butylamine 8.41
    n-dodecanol 5.67
    dimethoxymethane 35.34
    ethylene carbonate 14.68
    cyrene 53.13
    2-ethoxyethyl acetate 20.76
    2-ethylhexyl acetate 8.43
    1,2,4-trichlorobenzene 6.15
    4-methylpyridine 7.75
    dibutyl ether 7.53
    2,6-dimethyl-4-heptanol 7.39
    DEF 24.33
    dimethyl isosorbide 70.42
    tetrachloroethylene 12.65
    eugenol 32.5
    triacetin 29.27
    span 80 42.61
    1,4-butanediol 20.38
    1,1-dichloroethane 2.28
    2-methyl-1-pentanol 14.16
    methyl formate 15.21
    2-methyl-1-butanol 11.47
    n-decane 1.03
    butyronitrile 2.97
    3,7-dimethyl-1-octanol 11.36
    1-chlorooctane 3.65
    1-chlorotetradecane 1.51
    n-nonane 0.92
    undecane 0.71
    tert-butylcyclohexane 1.27
    cyclooctane 1.08
    cyclopentanol 24.62
    tetrahydropyran 15.0
    tert-amyl methyl ether 9.15
    2,5,8-trioxanonane 82.95
    1-hexene 1.89
    2-isopropoxyethanol 38.92
    2,2,2-trifluoroethanol 19.33
    methyl butyrate 12.58

    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