3-Hydroxyhexanoic acid

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  • Identifiers

    CAS number
    10191-24-9

    Molecular formula
    C6H12O3

    SMILES
    CCCC(CC(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.16%
    Cheesy 66.22%
    Sour 43.89%
    Dairy 38.05%
    Sweaty 36.77%
    Fatty 35.87%
    Tropical 35.36%
    Buttery 35.14%
    Green 30.23%
    Sweet 30.08%

     

    Flavor
    Odorless 51.78%
    Sour 43.63%
    Cheese 40.29%
    Acidic 37.48%
    Sweat 36.8%
    Rancid 33.07%
    Pungent 28.69%
    Cheesy 28.62%
    Animal 28.38%
    Sweaty 27.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.76 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    254°C

    Flash point

    • 131.36 ˚C est.

  • Synonyms

    • 3-Hydroxyhexanoic acid
    • 10191-24-9
    • Hexanoic acid, 3-hydroxy-
    • 3-Hydroxycaproic acid
    • (+/-)-3-Hydroxyhexanoic Acid
    • 48NUX22XXO
    • 3-hydroxy-hexanoic acid
    • DL-3-hydroxy caproic acid
    • CHEBI:37035
    • DTXSID40906794
    • .BETA.-HYDROXYCAPROIC ACID
    • .BETA.-HYDROXYHEXANOIC ACID
    • MFCD02259045
    • 3-HYDROXYHEXANOIC ACID, (+/-)-
    • 3-HYDROXYHEXANOICACID
    • beta-hydroxycaproic acid
    • 3-hydroxy hexanoic acid
    • beta-hydroxyhexanoic acid
    • UNII-48NUX22XXO
    • SCHEMBL20843
    • 3-Hydroxy C6:0 fatty acid
    • racemic 3-hydroxyhexanoic acid
    • FEMA NO. 5005
    • DTXCID701007909
    • LMFA01050012
    • AKOS011682999
    • BS-52133
    • PD078037
    • HY-113836
    • NS00128884
    • EN300-79913
    • E77200
    • Q27117019
    • Z982132146
    • 600-248-5

  • Applications

    3-Hydroxyhexanoic acid (CAS 10191-24-9) is a hydroxy fatty acid used as an intermediate and building block in a range of industrial syntheses. Real-world applications include: as a monomer or precursor for biodegradable polyesters and plastics; as a precursor for esters, fragrance compounds and cosmetic ingredients; as a source for specialty chemicals used in coatings, inks, and adhesives; and as a precursor for surfactants and personal-care derivatives. These applications reflect its role as an industrial building block that can be tailored to specific formulations under local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.85
    methanol 441.19
    isopropanol 120.39
    water 99.76
    ethyl acetate 46.27
    n-propanol 126.49
    acetone 104.84
    n-butanol 117.46
    acetonitrile 30.7
    DMF 629.0
    toluene 2.49
    isobutanol 83.18
    1,4-dioxane 165.06
    methyl acetate 35.98
    THF 334.08
    2-butanone 35.71
    n-pentanol 68.63
    sec-butanol 72.35
    n-hexane 2.56
    ethylene glycol 370.58
    NMP 465.36
    cyclohexane 2.66
    DMSO 665.76
    n-butyl acetate 41.97
    n-octanol 53.55
    chloroform 9.29
    n-propyl acetate 30.03
    acetic acid 390.32
    dichloromethane 14.34
    cyclohexanone 114.07
    propylene glycol 327.24
    isopropyl acetate 35.42
    DMAc 265.97
    2-ethoxyethanol 193.0
    isopentanol 91.13
    n-heptane 3.8
    ethyl formate 67.7
    1,2-dichloroethane 14.21
    n-hexanol 97.53
    2-methoxyethanol 509.72
    isobutyl acetate 20.97
    tetrachloromethane 3.45
    n-pentyl acetate 30.93
    transcutol 381.07
    n-heptanol 48.23
    ethylbenzene 4.0
    MIBK 43.46
    2-propoxyethanol 251.65
    tert-butanol 167.86
    MTBE 26.18
    2-butoxyethanol 117.1
    propionic acid 181.61
    o-xylene 6.66
    formic acid 361.56
    diethyl ether 18.18
    m-xylene 7.37
    p-xylene 5.62
    chlorobenzene 6.55
    dimethyl carbonate 44.17
    n-octane 1.48
    formamide 288.58
    cyclopentanone 180.77
    2-pentanone 52.08
    anisole 22.48
    cyclopentyl methyl ether 78.41
    gamma-butyrolactone 298.4
    1-methoxy-2-propanol 367.44
    pyridine 23.47
    3-pentanone 23.94
    furfural 213.97
    n-dodecane 1.78
    diethylene glycol 324.44
    diisopropyl ether 9.52
    tert-amyl alcohol 95.87
    acetylacetone 98.14
    n-hexadecane 1.91
    acetophenone 34.48
    methyl propionate 59.76
    isopentyl acetate 38.95
    trichloroethylene 23.41
    n-nonanol 45.96
    cyclohexanol 93.33
    benzyl alcohol 40.74
    2-ethylhexanol 42.02
    isooctanol 36.13
    dipropyl ether 28.1
    1,2-dichlorobenzene 11.55
    ethyl lactate 61.13
    propylene carbonate 145.79
    n-methylformamide 269.67
    2-pentanol 61.41
    n-pentane 1.98
    1-propoxy-2-propanol 160.05
    1-methoxy-2-propyl acetate 83.3
    2-(2-methoxypropoxy) propanol 126.39
    mesitylene 8.32
    ε-caprolactone 134.15
    p-cymene 9.92
    epichlorohydrin 160.91
    1,1,1-trichloroethane 9.82
    2-aminoethanol 395.23
    morpholine-4-carbaldehyde 417.72
    sulfolane 452.7
    2,2,4-trimethylpentane 2.45
    2-methyltetrahydrofuran 116.78
    n-hexyl acetate 58.41
    isooctane 2.71
    2-(2-butoxyethoxy)ethanol 194.66
    sec-butyl acetate 19.34
    tert-butyl acetate 52.67
    decalin 2.82
    glycerin 536.24
    diglyme 235.18
    acrylic acid 193.49
    isopropyl myristate 24.66
    n-butyric acid 191.35
    acetyl acetate 40.38
    di(2-ethylhexyl) phthalate 40.6
    ethyl propionate 34.04
    nitromethane 299.83
    1,2-diethoxyethane 45.16
    benzonitrile 28.4
    trioctyl phosphate 35.9
    1-bromopropane 5.69
    gamma-valerolactone 342.34
    n-decanol 34.46
    triethyl phosphate 28.26
    4-methyl-2-pentanol 44.36
    propionitrile 26.32
    vinylene carbonate 104.75
    1,1,2-trichlorotrifluoroethane 195.63
    DMS 49.53
    cumene 6.51
    2-octanol 27.78
    2-hexanone 30.45
    octyl acetate 37.31
    limonene 15.62
    1,2-dimethoxyethane 183.68
    ethyl orthosilicate 25.54
    tributyl phosphate 37.18
    diacetone alcohol 159.42
    N,N-dimethylaniline 26.19
    acrylonitrile 46.22
    aniline 18.11
    1,3-propanediol 362.71
    bromobenzene 3.89
    dibromomethane 7.5
    1,1,2,2-tetrachloroethane 24.89
    2-methyl-cyclohexyl acetate 41.63
    tetrabutyl urea 55.54
    diisobutyl methanol 29.03
    2-phenylethanol 47.66
    styrene 3.69
    dioctyl adipate 48.07
    dimethyl sulfate 106.5
    ethyl butyrate 35.25
    methyl lactate 132.7
    butyl lactate 59.33
    diethyl carbonate 26.31
    propanediol butyl ether 170.54
    triethyl orthoformate 32.62
    p-tert-butyltoluene 10.7
    methyl 4-tert-butylbenzoate 71.12
    morpholine 232.56
    tert-butylamine 58.62
    n-dodecanol 25.19
    dimethoxymethane 184.25
    ethylene carbonate 92.19
    cyrene 143.31
    2-ethoxyethyl acetate 46.44
    2-ethylhexyl acetate 25.95
    1,2,4-trichlorobenzene 17.28
    4-methylpyridine 25.1
    dibutyl ether 22.59
    2,6-dimethyl-4-heptanol 29.03
    DEF 112.81
    dimethyl isosorbide 196.24
    tetrachloroethylene 17.19
    eugenol 81.41
    triacetin 69.93
    span 80 138.79
    1,4-butanediol 144.16
    1,1-dichloroethane 7.69
    2-methyl-1-pentanol 53.4
    methyl formate 176.36
    2-methyl-1-butanol 73.37
    n-decane 2.48
    butyronitrile 34.5
    3,7-dimethyl-1-octanol 43.56
    1-chlorooctane 11.19
    1-chlorotetradecane 5.55
    n-nonane 2.27
    undecane 2.04
    tert-butylcyclohexane 3.27
    cyclooctane 1.42
    cyclopentanol 163.48
    tetrahydropyran 63.89
    tert-amyl methyl ether 27.76
    2,5,8-trioxanonane 203.52
    1-hexene 6.61
    2-isopropoxyethanol 104.21
    2,2,2-trifluoroethanol 145.56
    methyl butyrate 50.42

    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