3-Hydroxyhexadecanoic acid

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  • Identifiers

    CAS number
    2398-34-7

    Molecular formula
    C16H32O3

    SMILES
    CCCCCCCCCCCCCC(CC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.67%
    Waxy 64.85%
    Oily 48.48%
    Citrus 34.63%
    Dairy 31.97%
    Milky 31.95%
    Odorless 30.23%
    Creamy 30.08%
    Soapy 27.3%
    Fresh 27.08%

     

    Flavor
    Fatty 58.63%
    Waxy 46.92%
    Mild 38.6%
    Fat 33.93%
    Odorless 33.04%
    Oily 31.94%
    Bland 29.46%
    Coconut 27.36%
    Faint 27.28%
    Soapy 25.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    6.01 (neutral)

    Molecular weight
    272.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 186.45 ˚C est.

  • Synonyms

    • 3-hydroxyhexadecanoic acid
    • 2398-34-7
    • DTXSID80946831
    • RefChem:1067999
    • DTXCID801776080
    • 3-hydroxy-hexadecanoic acid
    • 928-17-6
    • 3-Hydroxypalmitic acid
    • Hexadecanoic acid,3-hydroxy-
    • beta-Hydroxyhexadecanoic acid
    • Hexadecanoic acid, 3-hydroxy-
    • MFCD00171638
    • beta-Hydroxypalmitic acid
    • 3-?Hydroxy-hexadecanoic Acid
    • 20595-04-4
    • 3-HYDROXYHEXADECANOICACID
    • DL-beta-Hydroxypalmitic acid
    • SCHEMBL310976
    • DL- beta -Hydroxypalmitic acid
    • DL-.beta.-Hydroxypalmitic acid
    • orb1692679
    • CHEBI:37248
    • (+/-)-3-hydroxyhexadecanoic acid
    • LMFA01050188
    • NSC179484
    • AKOS024438254
    • DL-beta-Hydroxypalmitic acid, >=98%
    • NSC-179484
    • AS-59627
    • BP-29862
    • PD044275
    • Hexadecanoic acid, 3-hydroxy-, (+/-)-
    • DB-057332
    • Hexadecanoic acid, 3-hydroxy-, (A+/-)-
    • HY-131643
    • CS-0138121
    • F87673
    • A929893
    • Q27117078
    • A9897684-CABA-4D85-8749-EF6BF75EB0A0
    • 2398-34-7

  • Applications

    3-Hydroxyhexadecanoic acid, CAS 2398-34-7, is a multifunctional monomer suitable for fatty-acid–based polymer chemistry, particularly in polyester and polyurethane systems. It can act as a plasticizer for polymers to improve flexibility and mechanical properties. The hydroxyl group at position 3 together with the carboxyl group enables the synthesis of esters and specialty derivatives for cosmetic and personal-care formulations or as surfactants and emulsifiers in skin-care products. It is also considered a precursor for esters used in coatings and inks and may serve as a component in lubricant formulations or lubricant additives. Real-world applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.36
    methanol 152.98
    isopropanol 195.87
    water 0.03
    ethyl acetate 101.86
    n-propanol 157.74
    acetone 167.41
    n-butanol 157.6
    acetonitrile 34.98
    DMF 369.72
    toluene 43.85
    isobutanol 154.98
    1,4-dioxane 184.13
    methyl acetate 74.73
    THF 943.56
    2-butanone 150.04
    n-pentanol 133.95
    sec-butanol 148.81
    n-hexane 38.67
    ethylene glycol 15.52
    NMP 535.6
    cyclohexane 62.33
    DMSO 884.93
    n-butyl acetate 200.98
    n-octanol 89.92
    chloroform 219.18
    n-propyl acetate 179.33
    acetic acid 92.91
    dichloromethane 191.72
    cyclohexanone 473.14
    propylene glycol 66.39
    isopropyl acetate 137.66
    DMAc 377.39
    2-ethoxyethanol 194.54
    isopentanol 193.6
    n-heptane 26.7
    ethyl formate 71.07
    1,2-dichloroethane 208.24
    n-hexanol 140.97
    2-methoxyethanol 266.64
    isobutyl acetate 155.88
    tetrachloromethane 55.53
    n-pentyl acetate 196.89
    transcutol 644.51
    n-heptanol 89.88
    ethylbenzene 48.29
    MIBK 204.39
    2-propoxyethanol 251.27
    tert-butanol 320.92
    MTBE 195.15
    2-butoxyethanol 204.52
    propionic acid 108.75
    o-xylene 53.34
    formic acid 24.08
    diethyl ether 115.07
    m-xylene 55.29
    p-xylene 66.86
    chlorobenzene 73.14
    dimethyl carbonate 37.06
    n-octane 11.38
    formamide 42.4
    cyclopentanone 589.45
    2-pentanone 189.66
    anisole 97.3
    cyclopentyl methyl ether 347.28
    gamma-butyrolactone 482.76
    1-methoxy-2-propanol 308.62
    pyridine 138.7
    3-pentanone 118.14
    furfural 271.15
    n-dodecane 6.85
    diethylene glycol 122.77
    diisopropyl ether 68.89
    tert-amyl alcohol 231.4
    acetylacetone 217.98
    n-hexadecane 8.22
    acetophenone 134.65
    methyl propionate 101.05
    isopentyl acetate 226.1
    trichloroethylene 291.18
    n-nonanol 86.26
    cyclohexanol 231.17
    benzyl alcohol 87.78
    2-ethylhexanol 111.7
    isooctanol 97.65
    dipropyl ether 159.82
    1,2-dichlorobenzene 94.19
    ethyl lactate 93.47
    propylene carbonate 236.56
    n-methylformamide 103.28
    2-pentanol 134.32
    n-pentane 20.1
    1-propoxy-2-propanol 247.69
    1-methoxy-2-propyl acetate 196.67
    2-(2-methoxypropoxy) propanol 182.89
    mesitylene 51.31
    ε-caprolactone 349.31
    p-cymene 46.12
    epichlorohydrin 418.62
    1,1,1-trichloroethane 188.98
    2-aminoethanol 72.96
    morpholine-4-carbaldehyde 346.44
    sulfolane 998.9
    2,2,4-trimethylpentane 19.37
    2-methyltetrahydrofuran 450.71
    n-hexyl acetate 216.29
    isooctane 15.35
    2-(2-butoxyethoxy)ethanol 249.37
    sec-butyl acetate 143.48
    tert-butyl acetate 237.53
    decalin 33.43
    glycerin 92.87
    diglyme 446.29
    acrylic acid 64.46
    isopropyl myristate 82.76
    n-butyric acid 229.63
    acetyl acetate 68.64
    di(2-ethylhexyl) phthalate 77.47
    ethyl propionate 127.49
    nitromethane 143.67
    1,2-diethoxyethane 207.28
    benzonitrile 83.41
    trioctyl phosphate 65.93
    1-bromopropane 133.72
    gamma-valerolactone 572.11
    n-decanol 58.23
    triethyl phosphate 89.91
    4-methyl-2-pentanol 106.65
    propionitrile 54.54
    vinylene carbonate 142.64
    1,1,2-trichlorotrifluoroethane 307.59
    DMS 96.97
    cumene 47.43
    2-octanol 76.03
    2-hexanone 210.22
    octyl acetate 100.21
    limonene 89.38
    1,2-dimethoxyethane 343.2
    ethyl orthosilicate 92.72
    tributyl phosphate 83.43
    diacetone alcohol 312.74
    N,N-dimethylaniline 92.65
    acrylonitrile 54.94
    aniline 69.76
    1,3-propanediol 135.34
    bromobenzene 75.88
    dibromomethane 155.7
    1,1,2,2-tetrachloroethane 353.82
    2-methyl-cyclohexyl acetate 180.81
    tetrabutyl urea 123.27
    diisobutyl methanol 79.75
    2-phenylethanol 99.91
    styrene 48.79
    dioctyl adipate 138.07
    dimethyl sulfate 122.55
    ethyl butyrate 159.59
    methyl lactate 89.84
    butyl lactate 168.39
    diethyl carbonate 81.69
    propanediol butyl ether 192.48
    triethyl orthoformate 135.19
    p-tert-butyltoluene 48.82
    methyl 4-tert-butylbenzoate 173.45
    morpholine 359.95
    tert-butylamine 201.56
    n-dodecanol 41.36
    dimethoxymethane 188.45
    ethylene carbonate 132.04
    cyrene 197.9
    2-ethoxyethyl acetate 185.34
    2-ethylhexyl acetate 172.27
    1,2,4-trichlorobenzene 116.54
    4-methylpyridine 144.57
    dibutyl ether 149.91
    2,6-dimethyl-4-heptanol 79.75
    DEF 226.38
    dimethyl isosorbide 370.21
    tetrachloroethylene 204.79
    eugenol 145.15
    triacetin 205.81
    span 80 186.23
    1,4-butanediol 53.01
    1,1-dichloroethane 152.39
    2-methyl-1-pentanol 133.54
    methyl formate 56.96
    2-methyl-1-butanol 153.51
    n-decane 15.54
    butyronitrile 91.72
    3,7-dimethyl-1-octanol 101.02
    1-chlorooctane 73.03
    1-chlorotetradecane 23.33
    n-nonane 15.43
    undecane 9.75
    tert-butylcyclohexane 29.84
    cyclooctane 18.61
    cyclopentanol 285.81
    tetrahydropyran 356.33
    tert-amyl methyl ether 167.91
    2,5,8-trioxanonane 292.87
    1-hexene 99.25
    2-isopropoxyethanol 180.59
    2,2,2-trifluoroethanol 39.14
    methyl butyrate 199.06

    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