6-Hydroxyoctanoic acid

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  • Identifiers

    CAS number
    64165-18-0

    Molecular formula
    C8H16O3

    SMILES
    CCC(CCCCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 50.7%
    Buttery 34.57%
    Cheesy 34.47%
    Odorless 32.78%
    Milky 31.78%
    Fatty 30.33%
    Sweet 28.93%
    Oily 28.85%
    Creamy 27.68%
    Dairy 27.55%

     

    Flavor
    Odorless 43.91%
    Cheese 35.3%
    Sour 32.05%
    Acidic 28.93%
    Oily 27.76%
    Fruity 27.52%
    Sweat 27.4%
    Pungent 27.28%
    Rancid 26.01%
    Cheesy 25.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.52 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point

    • 153.28 ˚C est.

  • Synonyms

    • 6-Hydroxyoctanoic acid
    • 64165-18-0
    • DTXSID60982676
    • RefChem:913987
    • DTXCID001409936
    • 6-Hydroxyoctanoate
    • 6-hydroxy caprylic acid
    • Octanoic acid, 6-hydroxy-
    • 6-hydroxy-octanoic acid
    • 6-hydroxycaprylic acid
    • SCHEMBL380978
    • SCHEMBL27755108
    • BUKOWKOPJSGGQK-UHFFFAOYSA-N
    • CHEBI:180038
    • LMFA01050022
    • DB-296558
    • 64165-18-0

  • Applications

    6-Hydroxyoctanoic acid (CAS 64165-18-0) is a hydroxy fatty acid bearing a secondary hydroxyl group and is used as an industrial chemical intermediate. Real-world applications include as a monomer or modifier in polyesters and polyurethanes for coatings, inks, and adhesives; it can be converted to lactones or ester derivatives for specialty chemicals. It is also evaluated as a building block for fragrance materials and for cosmetic/personal care ingredients, potentially serving as an emollient or skin-conditioning agent. Additionally, it may function as a precursor in general chemical manufacturing to produce specialty polymers and plastics, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 317.82
    methanol 708.62
    isopropanol 153.79
    water 19.55
    ethyl acetate 41.63
    n-propanol 189.4
    acetone 131.17
    n-butanol 132.83
    acetonitrile 23.18
    DMF 399.09
    toluene 8.21
    isobutanol 140.67
    1,4-dioxane 94.09
    methyl acetate 36.49
    THF 281.51
    2-butanone 62.09
    n-pentanol 122.28
    sec-butanol 114.22
    n-hexane 9.71
    ethylene glycol 331.07
    NMP 357.07
    cyclohexane 4.14
    DMSO 915.98
    n-butyl acetate 65.6
    n-octanol 52.48
    chloroform 24.63
    n-propyl acetate 46.03
    acetic acid 356.66
    dichloromethane 19.15
    cyclohexanone 144.41
    propylene glycol 327.5
    isopropyl acetate 43.17
    DMAc 287.66
    2-ethoxyethanol 261.68
    isopentanol 156.64
    n-heptane 3.95
    ethyl formate 57.58
    1,2-dichloroethane 27.08
    n-hexanol 140.47
    2-methoxyethanol 445.03
    isobutyl acetate 35.63
    tetrachloromethane 13.52
    n-pentyl acetate 43.29
    transcutol 505.79
    n-heptanol 62.54
    ethylbenzene 10.85
    MIBK 75.85
    2-propoxyethanol 252.54
    tert-butanol 369.36
    MTBE 77.93
    2-butoxyethanol 134.18
    propionic acid 212.99
    o-xylene 15.49
    formic acid 376.6
    diethyl ether 20.9
    m-xylene 15.89
    p-xylene 15.3
    chlorobenzene 14.91
    dimethyl carbonate 26.56
    n-octane 1.99
    formamide 318.08
    cyclopentanone 228.98
    2-pentanone 73.23
    anisole 38.74
    cyclopentyl methyl ether 97.23
    gamma-butyrolactone 255.34
    1-methoxy-2-propanol 292.46
    pyridine 39.41
    3-pentanone 35.42
    furfural 194.15
    n-dodecane 1.62
    diethylene glycol 298.89
    diisopropyl ether 17.0
    tert-amyl alcohol 249.37
    acetylacetone 111.18
    n-hexadecane 1.79
    acetophenone 52.68
    methyl propionate 44.42
    isopentyl acetate 70.69
    trichloroethylene 52.03
    n-nonanol 45.43
    cyclohexanol 112.14
    benzyl alcohol 65.06
    2-ethylhexanol 64.22
    isooctanol 52.83
    dipropyl ether 25.06
    1,2-dichlorobenzene 21.89
    ethyl lactate 56.67
    propylene carbonate 115.38
    n-methylformamide 254.88
    2-pentanol 72.75
    n-pentane 3.36
    1-propoxy-2-propanol 157.84
    1-methoxy-2-propyl acetate 90.18
    2-(2-methoxypropoxy) propanol 145.86
    mesitylene 15.52
    ε-caprolactone 136.99
    p-cymene 12.75
    epichlorohydrin 144.11
    1,1,1-trichloroethane 26.25
    2-aminoethanol 481.57
    morpholine-4-carbaldehyde 281.54
    sulfolane 459.17
    2,2,4-trimethylpentane 5.57
    2-methyltetrahydrofuran 146.95
    n-hexyl acetate 68.47
    isooctane 5.34
    2-(2-butoxyethoxy)ethanol 202.39
    sec-butyl acetate 33.48
    tert-butyl acetate 82.84
    decalin 5.49
    glycerin 449.04
    diglyme 257.42
    acrylic acid 193.19
    isopropyl myristate 23.35
    n-butyric acid 195.86
    acetyl acetate 34.47
    di(2-ethylhexyl) phthalate 43.17
    ethyl propionate 36.12
    nitromethane 248.03
    1,2-diethoxyethane 56.64
    benzonitrile 36.89
    trioctyl phosphate 32.0
    1-bromopropane 11.19
    gamma-valerolactone 285.63
    n-decanol 32.9
    triethyl phosphate 28.45
    4-methyl-2-pentanol 69.87
    propionitrile 27.83
    vinylene carbonate 83.86
    1,1,2-trichlorotrifluoroethane 240.97
    DMS 42.87
    cumene 13.79
    2-octanol 36.2
    2-hexanone 66.98
    octyl acetate 33.64
    limonene 19.63
    1,2-dimethoxyethane 227.39
    ethyl orthosilicate 28.21
    tributyl phosphate 37.76
    diacetone alcohol 208.6
    N,N-dimethylaniline 39.72
    acrylonitrile 44.49
    aniline 36.05
    1,3-propanediol 405.66
    bromobenzene 11.17
    dibromomethane 14.96
    1,1,2,2-tetrachloroethane 60.02
    2-methyl-cyclohexyl acetate 52.29
    tetrabutyl urea 51.54
    diisobutyl methanol 36.64
    2-phenylethanol 65.49
    styrene 9.99
    dioctyl adipate 45.56
    dimethyl sulfate 83.05
    ethyl butyrate 40.92
    methyl lactate 94.71
    butyl lactate 76.19
    diethyl carbonate 26.09
    propanediol butyl ether 188.87
    triethyl orthoformate 34.19
    p-tert-butyltoluene 14.11
    methyl 4-tert-butylbenzoate 77.74
    morpholine 156.82
    tert-butylamine 135.75
    n-dodecanol 22.96
    dimethoxymethane 108.71
    ethylene carbonate 68.74
    cyrene 136.34
    2-ethoxyethyl acetate 64.67
    2-ethylhexyl acetate 47.0
    1,2,4-trichlorobenzene 29.48
    4-methylpyridine 42.7
    dibutyl ether 22.8
    2,6-dimethyl-4-heptanol 36.64
    DEF 99.01
    dimethyl isosorbide 187.43
    tetrachloroethylene 55.16
    eugenol 89.43
    triacetin 73.21
    span 80 130.69
    1,4-butanediol 191.5
    1,1-dichloroethane 17.52
    2-methyl-1-pentanol 126.71
    methyl formate 136.02
    2-methyl-1-butanol 136.11
    n-decane 2.66
    butyronitrile 34.05
    3,7-dimethyl-1-octanol 60.24
    1-chlorooctane 12.18
    1-chlorotetradecane 4.93
    n-nonane 2.52
    undecane 2.0
    tert-butylcyclohexane 7.44
    cyclooctane 2.24
    cyclopentanol 193.31
    tetrahydropyran 60.82
    tert-amyl methyl ether 65.02
    2,5,8-trioxanonane 201.23
    1-hexene 22.65
    2-isopropoxyethanol 169.91
    2,2,2-trifluoroethanol 118.08
    methyl butyrate 63.29

    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