16-Hydroxyhexadecanoic acid

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  • Identifiers

    CAS number
    506-13-8

    Molecular formula
    C16H32O3

    SMILES
    C(CCCCCCCC(=O)O)CCCCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Waxy 63.1%
    Fatty 55.1%
    Odorless 35.04%
    Oily 34.81%
    Citrus 25.73%
    Sweet 25.26%
    Soapy 24.37%
    Clean 24.37%
    Fresh 23.19%
    Creamy 22.77%

     

    Flavor
    Waxy 67.07%
    Fatty 65.45%
    Fat 41.3%
    Soapy 41.3%
    Coconut 39.86%
    Oily 38.1%
    Mild 37.59%
    Creamy 32.82%
    Floral 28.89%
    Sweet 28.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    6.84 (neutral)

    Molecular weight
    272.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    379°C

    Melting point expt.

    • 94.00 to 98.00 °C. @ 760.00 mm Hg

    Flash point

    • 199.38 ˚C est.

  • Synonyms

    • 16-Hydroxyhexadecanoic acid
    • 506-13-8
    • Juniperic acid
    • 16-HYDROXYPALMITIC ACID
    • Palmitic acid, 16-hydroxy-
    • omega-Hydroxypalmitic acid
    • 7IPP3U0F3I
    • NSC-159292
    • DTXSID6060133
    • CHEBI:55328
    • RefChem:437511
    • DTXCID8040858
    • 208-028-7
    • Hexadecanoic acid, 16-hydroxy-
    • 16-hydroxy-hexadecanoic acid
    • MFCD00002750
    • .omega.-Hydroxypalmitic acid
    • 16-hydroxy hexadecanoic acid
    • 16-HydroxyhexadecanoicAcid
    • UNII-7IPP3U0F3I
    • Juniperinic acid
    • EINECS 208-028-7
    • hydroxy hexadecanoate
    • NSC 159292
    • w-hydroxy hexadecanoate
    • 16-Hydoxy hexadecanoate
    • hydroxy hexadecanoic acid
    • omega hydroxy hexadecanoate
    • omega-hydroxy hexadecanoate
    • bmse000700
    • w-hydroxy hexadecanoic acid
    • 16-Hydoxy hexadecanoic acid
    • SCHEMBL153053
    • SCHEMBL541950
    • omega hydroxy hexadecanoic acid
    • omega-hydroxy hexadecanoic acid
    • orb1984923
    • SCHEMBL1006840
    • CHEMBL4281719
    • SCHEMBL10608608
    • MSK1789
    • 16-Hydroxyhexadecanoic acid, 98%
    • LMFA01050051
    • NSC159292
    • AKOS005068207
    • FH73274
    • HY-W068212
    • omega hydroxy hexadecanoate (n-C16:0)
    • AS-47314
    • ST002905
    • SY057066
    • DB-051802
    • 16-OH 16:0
    • CS-0068707
    • H0675
    • NS00015517
    • C18218
    • F13220
    • F513065
    • Q27124231
    • 16Y
    • 506-13-8

  • Applications

    16-Hydroxyhexadecanoic acid (CAS 506-13-8) is a biobased ω-hydroxy fatty acid that serves as a versatile building block in polymer chemistry: as a functional monomer for polyesters and polyurethanes it enables coatings, adhesives and specialty polymers; it is used as an intermediate in the synthesis of surfactants and cosmetic esters; it can be converted into lubricant derivatives and lubricant additives; it acts as a precursor for biobased chemical routes in industrial manufacturing; in cosmetics, its long-chain backbone supports the design of emollients and conditioning esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.93
    methanol 37.58
    isopropanol 32.45
    water 0.02
    ethyl acetate 24.36
    n-propanol 27.69
    acetone 23.44
    n-butanol 30.25
    acetonitrile 7.47
    DMF 94.61
    toluene 11.18
    isobutanol 27.62
    1,4-dioxane 52.14
    methyl acetate 18.94
    THF 246.92
    2-butanone 30.74
    n-pentanol 29.35
    sec-butanol 28.24
    n-hexane 7.13
    ethylene glycol 3.76
    NMP 204.21
    cyclohexane 16.05
    DMSO 259.08
    n-butyl acetate 62.51
    n-octanol 29.52
    chloroform 80.34
    n-propyl acetate 63.29
    acetic acid 27.6
    dichloromethane 72.75
    cyclohexanone 138.76
    propylene glycol 13.65
    isopropyl acetate 37.3
    DMAc 134.83
    2-ethoxyethanol 68.81
    isopentanol 41.79
    n-heptane 7.47
    ethyl formate 21.03
    1,2-dichloroethane 63.61
    n-hexanol 32.17
    2-methoxyethanol 78.58
    isobutyl acetate 49.36
    tetrachloromethane 21.08
    n-pentyl acetate 85.0
    transcutol 303.93
    n-heptanol 30.07
    ethylbenzene 15.84
    MIBK 55.72
    2-propoxyethanol 77.48
    tert-butanol 62.6
    MTBE 43.38
    2-butoxyethanol 84.49
    propionic acid 28.34
    o-xylene 16.94
    formic acid 9.57
    diethyl ether 23.1
    m-xylene 15.43
    p-xylene 20.82
    chlorobenzene 22.59
    dimethyl carbonate 11.86
    n-octane 3.87
    formamide 17.15
    cyclopentanone 169.88
    2-pentanone 40.03
    anisole 33.68
    cyclopentyl methyl ether 93.92
    gamma-butyrolactone 157.15
    1-methoxy-2-propanol 88.71
    pyridine 42.77
    3-pentanone 28.27
    furfural 112.73
    n-dodecane 2.49
    diethylene glycol 39.96
    diisopropyl ether 17.71
    tert-amyl alcohol 54.52
    acetylacetone 60.71
    n-hexadecane 2.94
    acetophenone 55.38
    methyl propionate 24.66
    isopentyl acetate 74.08
    trichloroethylene 104.31
    n-nonanol 30.06
    cyclohexanol 54.04
    benzyl alcohol 30.15
    2-ethylhexanol 32.08
    isooctanol 33.38
    dipropyl ether 49.29
    1,2-dichlorobenzene 35.19
    ethyl lactate 37.99
    propylene carbonate 86.61
    n-methylformamide 28.22
    2-pentanol 25.84
    n-pentane 3.92
    1-propoxy-2-propanol 83.78
    1-methoxy-2-propyl acetate 72.44
    2-(2-methoxypropoxy) propanol 79.25
    mesitylene 15.8
    ε-caprolactone 120.02
    p-cymene 18.18
    epichlorohydrin 136.03
    1,1,1-trichloroethane 58.25
    2-aminoethanol 16.62
    morpholine-4-carbaldehyde 136.16
    sulfolane 394.23
    2,2,4-trimethylpentane 5.8
    2-methyltetrahydrofuran 116.71
    n-hexyl acetate 83.87
    isooctane 4.07
    2-(2-butoxyethoxy)ethanol 113.62
    sec-butyl acetate 50.07
    tert-butyl acetate 76.28
    decalin 10.41
    glycerin 27.47
    diglyme 220.67
    acrylic acid 19.78
    isopropyl myristate 31.63
    n-butyric acid 61.45
    acetyl acetate 21.82
    di(2-ethylhexyl) phthalate 30.9
    ethyl propionate 43.72
    nitromethane 44.48
    1,2-diethoxyethane 83.42
    benzonitrile 29.0
    trioctyl phosphate 25.57
    1-bromopropane 35.39
    gamma-valerolactone 212.23
    n-decanol 19.79
    triethyl phosphate 43.3
    4-methyl-2-pentanol 25.4
    propionitrile 12.06
    vinylene carbonate 55.73
    1,1,2-trichlorotrifluoroethane 131.76
    DMS 39.88
    cumene 16.62
    2-octanol 25.07
    2-hexanone 58.84
    octyl acetate 38.04
    limonene 30.33
    1,2-dimethoxyethane 128.69
    ethyl orthosilicate 44.75
    tributyl phosphate 33.37
    diacetone alcohol 102.54
    N,N-dimethylaniline 36.64
    acrylonitrile 14.09
    aniline 18.95
    1,3-propanediol 32.8
    bromobenzene 23.89
    dibromomethane 52.21
    1,1,2,2-tetrachloroethane 131.98
    2-methyl-cyclohexyl acetate 73.41
    tetrabutyl urea 52.4
    diisobutyl methanol 28.29
    2-phenylethanol 33.43
    styrene 15.93
    dioctyl adipate 58.18
    dimethyl sulfate 44.52
    ethyl butyrate 62.81
    methyl lactate 29.63
    butyl lactate 72.04
    diethyl carbonate 34.27
    propanediol butyl ether 75.41
    triethyl orthoformate 62.69
    p-tert-butyltoluene 18.86
    methyl 4-tert-butylbenzoate 79.37
    morpholine 96.16
    tert-butylamine 39.57
    n-dodecanol 14.03
    dimethoxymethane 50.64
    ethylene carbonate 50.02
    cyrene 89.17
    2-ethoxyethyl acetate 82.49
    2-ethylhexyl acetate 59.56
    1,2,4-trichlorobenzene 45.66
    4-methylpyridine 41.21
    dibutyl ether 53.49
    2,6-dimethyl-4-heptanol 28.29
    DEF 68.45
    dimethyl isosorbide 168.18
    tetrachloroethylene 82.69
    eugenol 68.7
    triacetin 97.5
    span 80 75.53
    1,4-butanediol 13.68
    1,1-dichloroethane 39.12
    2-methyl-1-pentanol 35.32
    methyl formate 17.06
    2-methyl-1-butanol 32.62
    n-decane 5.58
    butyronitrile 20.67
    3,7-dimethyl-1-octanol 34.62
    1-chlorooctane 25.25
    1-chlorotetradecane 8.14
    n-nonane 5.25
    undecane 3.48
    tert-butylcyclohexane 9.2
    cyclooctane 5.44
    cyclopentanol 63.47
    tetrahydropyran 82.41
    tert-amyl methyl ether 43.95
    2,5,8-trioxanonane 144.77
    1-hexene 18.35
    2-isopropoxyethanol 61.15
    2,2,2-trifluoroethanol 14.78
    methyl butyrate 72.51

    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