5-Hydroxyhexanoic acid

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  • Identifiers

    CAS number
    44843-89-2

    Molecular formula
    C6H12O3

    SMILES
    CC(CCCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 62.04%
    Cheesy 38.12%
    Buttery 34.39%
    Odorless 31.54%
    Milky 31.18%
    Sour 29.3%
    Dairy 29.27%
    Sweet 26.49%
    Creamy 26.41%
    Fatty 25.8%

     

    Flavor
    Odorless 53.57%
    Sour 39.4%
    Cheese 34.76%
    Acidic 34.35%
    Sweat 31.05%
    Pungent 30.21%
    Rancid 30.15%
    Cheesy 25.77%
    Animal 25.39%
    Fruity 24.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.29 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    272°C

    Flash point

    • 140.43 ˚C est.

  • Synonyms

    • 5-Hydroxyhexanoic acid
    • 44843-89-2
    • 5-Hydroxycaproic acid
    • 5-hydroxy-hexanoic acid
    • Hexanoic acid, 5-hydroxy-
    • CHEBI:131434
    • DTXSID10866119
    • RefChem:102885
    • DTXCID20814444
    • 185956-02-9
    • 5-hydroxy caproic acid
    • 5-OH-caproic acid
    • MFCD16659965
    • 5-OH-caproate
    • 5-hydroxyhexanoicacid
    • 5-Hydroxy hexanoic acid
    • SCHEMBL28754
    • SCHEMBL1984531
    • SCHEMBL6113442
    • SCHEMBL6387095
    • SCHEMBL6632983
    • SCHEMBL11692997
    • LMFA01050014
    • MFCD07346329
    • AKOS006222784
    • SB84425
    • AS-81478
    • SY196967
    • DB-263589
    • CS-0059502
    • NS00126847
    • EN300-14707
    • 185956-02-9

  • Applications

    5-Hydroxyhexanoic acid (CAS 44843-89-2) is a bifunctional hydroxy acid used as a building block in polymer chemistry, commonly serving as a monomer or chain extender for polyesters and polyurethanes; it is a precursor to lactones such as ε-caprolactone, enabling the production of biodegradable polymers like polycaprolactone. Its chirality and functional groups also make it a useful intermediate in pharmaceutical and agrochemical synthesis. Derivatization to ester forms can support cosmetic and fragrance-related applications as part of fragrance ester synthesis, while its di-functionality allows participation in coatings and adhesives formulations as a crosslinking or compatibilizing component. In industrial manufacturing, it is valued as a versatile intermediate for functionalized polymers and specialty chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 281.52
    methanol 610.46
    isopropanol 144.95
    water 450.67
    ethyl acetate 60.85
    n-propanol 152.43
    acetone 147.89
    n-butanol 126.12
    acetonitrile 38.23
    DMF 873.2
    toluene 2.43
    isobutanol 88.24
    1,4-dioxane 325.81
    methyl acetate 43.98
    THF 405.01
    2-butanone 46.12
    n-pentanol 69.06
    sec-butanol 78.69
    n-hexane 2.91
    ethylene glycol 405.27
    NMP 699.27
    cyclohexane 3.58
    DMSO 734.56
    n-butyl acetate 39.43
    n-octanol 64.61
    chloroform 6.55
    n-propyl acetate 36.63
    acetic acid 621.57
    dichloromethane 12.94
    cyclohexanone 140.19
    propylene glycol 346.65
    isopropyl acetate 47.82
    DMAc 432.94
    2-ethoxyethanol 267.91
    isopentanol 91.04
    n-heptane 3.73
    ethyl formate 92.53
    1,2-dichloroethane 14.27
    n-hexanol 73.45
    2-methoxyethanol 637.81
    isobutyl acetate 24.93
    tetrachloromethane 2.4
    n-pentyl acetate 41.19
    transcutol 623.38
    n-heptanol 52.89
    ethylbenzene 3.45
    MIBK 46.21
    2-propoxyethanol 250.17
    tert-butanol 171.55
    MTBE 32.89
    2-butoxyethanol 154.24
    propionic acid 255.57
    o-xylene 6.41
    formic acid 709.58
    diethyl ether 28.06
    m-xylene 6.14
    p-xylene 5.63
    chlorobenzene 5.45
    dimethyl carbonate 59.02
    n-octane 2.04
    formamide 605.06
    cyclopentanone 218.78
    2-pentanone 58.52
    anisole 23.64
    cyclopentyl methyl ether 91.27
    gamma-butyrolactone 398.96
    1-methoxy-2-propanol 395.0
    pyridine 33.92
    3-pentanone 30.75
    furfural 280.17
    n-dodecane 2.24
    diethylene glycol 346.11
    diisopropyl ether 12.87
    tert-amyl alcohol 95.76
    acetylacetone 122.61
    n-hexadecane 2.38
    acetophenone 36.42
    methyl propionate 74.03
    isopentyl acetate 38.79
    trichloroethylene 18.46
    n-nonanol 56.28
    cyclohexanol 102.35
    benzyl alcohol 42.59
    2-ethylhexanol 35.36
    isooctanol 38.12
    dipropyl ether 29.96
    1,2-dichlorobenzene 8.83
    ethyl lactate 66.45
    propylene carbonate 184.72
    n-methylformamide 390.41
    2-pentanol 62.0
    n-pentane 2.49
    1-propoxy-2-propanol 158.92
    1-methoxy-2-propyl acetate 86.86
    2-(2-methoxypropoxy) propanol 164.4
    mesitylene 7.15
    ε-caprolactone 189.0
    p-cymene 7.38
    epichlorohydrin 177.19
    1,1,1-trichloroethane 6.55
    2-aminoethanol 472.41
    morpholine-4-carbaldehyde 700.73
    sulfolane 516.59
    2,2,4-trimethylpentane 2.19
    2-methyltetrahydrofuran 147.13
    n-hexyl acetate 75.61
    isooctane 2.16
    2-(2-butoxyethoxy)ethanol 275.81
    sec-butyl acetate 24.15
    tert-butyl acetate 61.26
    decalin 2.85
    glycerin 623.38
    diglyme 345.31
    acrylic acid 272.55
    isopropyl myristate 29.45
    n-butyric acid 235.68
    acetyl acetate 55.05
    di(2-ethylhexyl) phthalate 44.31
    ethyl propionate 40.75
    nitromethane 486.59
    1,2-diethoxyethane 73.37
    benzonitrile 26.81
    trioctyl phosphate 40.88
    1-bromopropane 4.98
    gamma-valerolactone 489.79
    n-decanol 41.96
    triethyl phosphate 27.55
    4-methyl-2-pentanol 38.9
    propionitrile 27.06
    vinylene carbonate 140.2
    1,1,2-trichlorotrifluoroethane 202.44
    DMS 64.39
    cumene 5.2
    2-octanol 31.1
    2-hexanone 32.65
    octyl acetate 47.0
    limonene 12.17
    1,2-dimethoxyethane 264.66
    ethyl orthosilicate 25.72
    tributyl phosphate 43.13
    diacetone alcohol 159.38
    N,N-dimethylaniline 27.03
    acrylonitrile 46.55
    aniline 21.32
    1,3-propanediol 453.31
    bromobenzene 2.92
    dibromomethane 6.21
    1,1,2,2-tetrachloroethane 19.16
    2-methyl-cyclohexyl acetate 39.17
    tetrabutyl urea 66.09
    diisobutyl methanol 23.91
    2-phenylethanol 42.71
    styrene 3.21
    dioctyl adipate 57.85
    dimethyl sulfate 129.01
    ethyl butyrate 37.35
    methyl lactate 152.47
    butyl lactate 77.04
    diethyl carbonate 26.31
    propanediol butyl ether 234.23
    triethyl orthoformate 35.39
    p-tert-butyltoluene 8.25
    methyl 4-tert-butylbenzoate 85.14
    morpholine 386.48
    tert-butylamine 55.69
    n-dodecanol 30.59
    dimethoxymethane 249.93
    ethylene carbonate 128.16
    cyrene 165.95
    2-ethoxyethyl acetate 68.04
    2-ethylhexyl acetate 25.34
    1,2,4-trichlorobenzene 13.61
    4-methylpyridine 33.2
    dibutyl ether 31.37
    2,6-dimethyl-4-heptanol 23.91
    DEF 160.96
    dimethyl isosorbide 215.31
    tetrachloroethylene 14.97
    eugenol 91.92
    triacetin 98.03
    span 80 184.66
    1,4-butanediol 183.96
    1,1-dichloroethane 6.2
    2-methyl-1-pentanol 49.67
    methyl formate 257.25
    2-methyl-1-butanol 75.43
    n-decane 3.2
    butyronitrile 33.81
    3,7-dimethyl-1-octanol 46.96
    1-chlorooctane 11.03
    1-chlorotetradecane 5.77
    n-nonane 2.89
    undecane 2.59
    tert-butylcyclohexane 2.88
    cyclooctane 1.97
    cyclopentanol 174.84
    tetrahydropyran 96.32
    tert-amyl methyl ether 31.62
    2,5,8-trioxanonane 284.81
    1-hexene 6.28
    2-isopropoxyethanol 139.31
    2,2,2-trifluoroethanol 231.7
    methyl butyrate 61.74

    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