4-Hydroxyhexanoic acid

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  • Identifiers

    CAS number
    13532-38-2

    Molecular formula
    C6H12O3

    SMILES
    CCC(CCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 49.74%
    Buttery 42.04%
    Cheesy 39.51%
    Odorless 39.4%
    Milky 35.54%
    Sour 33.87%
    Dairy 31.81%
    Creamy 30.03%
    Fatty 29.49%
    Caramellic 26.19%

     

    Flavor
    Odorless 59.19%
    Sour 37.94%
    Acidic 35.22%
    Pungent 31.35%
    Cheese 29.59%
    Sweat 27.09%
    Rancid 26.8%
    Cheesy 24.11%
    Soy 22.82%
    Very slight 22.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.16 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    267°C

    Flash point

    • 129.12 ˚C est.

  • Synonyms

    • 4-Hydroxyhexanoic acid
    • 13532-38-2
    • 4-Hydroxycaproic acid
    • Hexanoic acid, 4-hydroxy-
    • DTXSID20870045
    • RefChem:912586
    • DTXCID30817901
    • DL-4-hydroxy caproic acid
    • 4-hydroxy-hexanoic acid
    • 4-Hydroxycaproate
    • 4-Hydroxyhexanoicacid
    • SCHEMBL29429
    • SCHEMBL6113414
    • SCHEMBL8015406
    • CHEBI:179643
    • LMFA01050013
    • AKOS010915048
    • CS-0296452
    • EN300-1296814
    • 13532-38-2

  • Applications

    4-Hydroxyhexanoic acid (CAS 13532-38-2) is mainly used as an intermediate and monomer for polymer synthesis, notably polyesters and polyamides, providing hydroxyl-functional building blocks for resins and coatings. It also serves as a precursor for specialty chemicals, including crosslinkers and derivatives used in coatings, inks, and adhesives. Its bifunctional character (carboxyl and hydroxyl) makes it suitable for producing hydroxyl-functional polymers and esters. It is occasionally evaluated for cosmetic and personal-care applications as a reactive intermediate or building block, and may be explored for use in cleaning formulations as an organic-acid component, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.74
    methanol 411.69
    isopropanol 157.87
    water 159.54
    ethyl acetate 31.61
    n-propanol 137.23
    acetone 92.91
    n-butanol 135.33
    acetonitrile 34.87
    DMF 528.36
    toluene 4.42
    isobutanol 92.63
    1,4-dioxane 154.51
    methyl acetate 31.88
    THF 190.86
    2-butanone 38.82
    n-pentanol 76.37
    sec-butanol 95.93
    n-hexane 3.11
    ethylene glycol 234.59
    NMP 258.53
    cyclohexane 4.7
    DMSO 397.71
    n-butyl acetate 28.33
    n-octanol 36.2
    chloroform 11.04
    n-propyl acetate 18.51
    acetic acid 218.18
    dichloromethane 17.9
    cyclohexanone 80.86
    propylene glycol 199.44
    isopropyl acetate 27.32
    DMAc 289.03
    2-ethoxyethanol 174.18
    isopentanol 112.06
    n-heptane 3.75
    ethyl formate 66.13
    1,2-dichloroethane 16.65
    n-hexanol 66.18
    2-methoxyethanol 406.65
    isobutyl acetate 14.03
    tetrachloromethane 5.26
    n-pentyl acetate 21.46
    transcutol 225.21
    n-heptanol 39.87
    ethylbenzene 6.43
    MIBK 35.66
    2-propoxyethanol 143.78
    tert-butanol 199.04
    MTBE 45.87
    2-butoxyethanol 93.94
    propionic acid 102.26
    o-xylene 10.55
    formic acid 282.46
    diethyl ether 23.26
    m-xylene 8.57
    p-xylene 9.2
    chlorobenzene 6.74
    dimethyl carbonate 23.04
    n-octane 1.94
    formamide 276.58
    cyclopentanone 109.69
    2-pentanone 40.94
    anisole 24.83
    cyclopentyl methyl ether 46.48
    gamma-butyrolactone 141.07
    1-methoxy-2-propanol 231.13
    pyridine 30.52
    3-pentanone 19.28
    furfural 132.15
    n-dodecane 1.9
    diethylene glycol 195.96
    diisopropyl ether 10.11
    tert-amyl alcohol 128.18
    acetylacetone 64.33
    n-hexadecane 1.98
    acetophenone 29.05
    methyl propionate 31.35
    isopentyl acetate 32.08
    trichloroethylene 21.47
    n-nonanol 32.07
    cyclohexanol 72.86
    benzyl alcohol 41.68
    2-ethylhexanol 33.11
    isooctanol 31.29
    dipropyl ether 19.38
    1,2-dichlorobenzene 10.08
    ethyl lactate 31.57
    propylene carbonate 74.97
    n-methylformamide 213.15
    2-pentanol 63.18
    n-pentane 3.25
    1-propoxy-2-propanol 85.73
    1-methoxy-2-propyl acetate 46.08
    2-(2-methoxypropoxy) propanol 87.0
    mesitylene 8.76
    ε-caprolactone 83.26
    p-cymene 8.91
    epichlorohydrin 96.25
    1,1,1-trichloroethane 10.6
    2-aminoethanol 297.32
    morpholine-4-carbaldehyde 276.65
    sulfolane 206.73
    2,2,4-trimethylpentane 2.71
    2-methyltetrahydrofuran 91.27
    n-hexyl acetate 33.86
    isooctane 2.48
    2-(2-butoxyethoxy)ethanol 123.05
    sec-butyl acetate 14.62
    tert-butyl acetate 38.93
    decalin 3.38
    glycerin 298.11
    diglyme 175.17
    acrylic acid 96.45
    isopropyl myristate 16.1
    n-butyric acid 124.23
    acetyl acetate 27.46
    di(2-ethylhexyl) phthalate 26.84
    ethyl propionate 18.49
    nitromethane 180.53
    1,2-diethoxyethane 38.23
    benzonitrile 26.02
    trioctyl phosphate 21.92
    1-bromopropane 8.43
    gamma-valerolactone 199.94
    n-decanol 24.76
    triethyl phosphate 19.75
    4-methyl-2-pentanol 41.61
    propionitrile 26.61
    vinylene carbonate 61.47
    1,1,2-trichlorotrifluoroethane 112.53
    DMS 24.34
    cumene 8.13
    2-octanol 22.24
    2-hexanone 25.12
    octyl acetate 23.33
    limonene 13.43
    1,2-dimethoxyethane 186.18
    ethyl orthosilicate 19.35
    tributyl phosphate 22.98
    diacetone alcohol 105.28
    N,N-dimethylaniline 29.24
    acrylonitrile 39.21
    aniline 22.65
    1,3-propanediol 330.2
    bromobenzene 4.76
    dibromomethane 10.15
    1,1,2,2-tetrachloroethane 21.9
    2-methyl-cyclohexyl acetate 27.95
    tetrabutyl urea 37.32
    diisobutyl methanol 22.72
    2-phenylethanol 39.13
    styrene 5.94
    dioctyl adipate 29.36
    dimethyl sulfate 53.66
    ethyl butyrate 24.47
    methyl lactate 63.93
    butyl lactate 34.44
    diethyl carbonate 17.33
    propanediol butyl ether 101.66
    triethyl orthoformate 22.79
    p-tert-butyltoluene 9.2
    methyl 4-tert-butylbenzoate 48.55
    morpholine 202.01
    tert-butylamine 82.02
    n-dodecanol 18.97
    dimethoxymethane 120.41
    ethylene carbonate 53.73
    cyrene 88.43
    2-ethoxyethyl acetate 31.95
    2-ethylhexyl acetate 21.09
    1,2,4-trichlorobenzene 13.48
    4-methylpyridine 32.56
    dibutyl ether 16.75
    2,6-dimethyl-4-heptanol 22.72
    DEF 94.3
    dimethyl isosorbide 114.23
    tetrachloroethylene 18.41
    eugenol 55.31
    triacetin 36.33
    span 80 80.4
    1,4-butanediol 127.89
    1,1-dichloroethane 10.26
    2-methyl-1-pentanol 66.19
    methyl formate 130.25
    2-methyl-1-butanol 91.35
    n-decane 2.64
    butyronitrile 40.67
    3,7-dimethyl-1-octanol 31.98
    1-chlorooctane 8.26
    1-chlorotetradecane 4.49
    n-nonane 2.42
    undecane 2.18
    tert-butylcyclohexane 3.36
    cyclooctane 2.36
    cyclopentanol 118.02
    tetrahydropyran 64.8
    tert-amyl methyl ether 35.26
    2,5,8-trioxanonane 156.55
    1-hexene 8.52
    2-isopropoxyethanol 91.51
    2,2,2-trifluoroethanol 87.16
    methyl butyrate 34.06

    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