4-Hydroxy-octanoic acid

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  • Identifiers

    CAS number
    7779-55-7

    Molecular formula
    C8H16O3

    SMILES
    CCCCC(CCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 63.78%
    Cheesy 53.41%
    Buttery 42.87%
    Fatty 42.24%
    Oily 39.61%
    Dairy 37.53%
    Milky 36.61%
    Sour 34.41%
    Creamy 33.76%
    Sweet 31.69%

     

    Flavor
    Odorless 43.51%
    Cheese 38.38%
    Sour 35.87%
    Sweat 31.75%
    Acidic 31.25%
    Fatty 29.87%
    Oily 28.65%
    Rancid 27.68%
    Cheesy 27.62%
    Pungent 25.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.48 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 143.2 ˚C est.

  • Synonyms

    • 4-hydroxy-octanoic acid
    • RefChem:1070815
    • 4-hydroxyoctanoic acid
    • Octanoic acid, 4-hydroxy-
    • 7779-55-7
    • LMFA01050226
    • 4-hydroxyoctanoicacid
    • SCHEMBL239055
    • DTXSID00415599
    • CHEBI:180040
    • ZRNOVONGMRDZEL-UHFFFAOYSA-N
    • AKOS008148155
    • CS-0297404
    • EN300-74543
    • Z838959646
    • 7779-55-7

  • Applications

    4-Hydroxy-octanoic acid, CAS 7779-55-7, is typically used as a versatile intermediate in the manufacture of fatty-acid-derived esters and polymers. It serves as a building block for polyester and polyurethane formulations and can be converted into plasticizers, surfactants, or other specialty esters with an eight-carbon hydrophobic tail. In cosmetics and personal care, derivatives of this hydroxy fatty acid are used as conditioning agents and as fragrance-related components. It may also function as a precursor for fragrance compounds and related additives for cleaning, coatings, and related industrial formulations, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 498.12
    methanol 966.31
    isopropanol 276.56
    water 14.67
    ethyl acetate 82.3
    n-propanol 274.04
    acetone 192.84
    n-butanol 197.94
    acetonitrile 42.81
    DMF 612.9
    toluene 12.22
    isobutanol 197.34
    1,4-dioxane 151.94
    methyl acetate 60.29
    THF 441.65
    2-butanone 86.63
    n-pentanol 172.35
    sec-butanol 178.02
    n-hexane 9.02
    ethylene glycol 396.66
    NMP 330.05
    cyclohexane 4.79
    DMSO 771.56
    n-butyl acetate 111.17
    n-octanol 66.32
    chloroform 23.71
    n-propyl acetate 74.57
    acetic acid 383.1
    dichloromethane 20.96
    cyclohexanone 181.09
    propylene glycol 418.02
    isopropyl acetate 85.68
    DMAc 378.3
    2-ethoxyethanol 386.21
    isopentanol 241.84
    n-heptane 4.8
    ethyl formate 101.29
    1,2-dichloroethane 30.77
    n-hexanol 198.98
    2-methoxyethanol 685.96
    isobutyl acetate 62.52
    tetrachloromethane 12.02
    n-pentyl acetate 55.24
    transcutol 563.35
    n-heptanol 81.52
    ethylbenzene 17.12
    MIBK 114.43
    2-propoxyethanol 369.73
    tert-butanol 511.66
    MTBE 124.32
    2-butoxyethanol 177.05
    propionic acid 230.27
    o-xylene 20.89
    formic acid 367.74
    diethyl ether 32.54
    m-xylene 23.85
    p-xylene 23.19
    chlorobenzene 18.18
    dimethyl carbonate 36.32
    n-octane 2.7
    formamide 325.05
    cyclopentanone 274.66
    2-pentanone 109.97
    anisole 59.02
    cyclopentyl methyl ether 131.67
    gamma-butyrolactone 292.42
    1-methoxy-2-propanol 460.88
    pyridine 55.25
    3-pentanone 43.29
    furfural 229.27
    n-dodecane 2.49
    diethylene glycol 400.1
    diisopropyl ether 24.8
    tert-amyl alcohol 334.76
    acetylacetone 167.83
    n-hexadecane 2.68
    acetophenone 69.59
    methyl propionate 64.44
    isopentyl acetate 122.86
    trichloroethylene 53.96
    n-nonanol 56.67
    cyclohexanol 138.77
    benzyl alcohol 93.58
    2-ethylhexanol 93.5
    isooctanol 70.25
    dipropyl ether 38.64
    1,2-dichlorobenzene 25.18
    ethyl lactate 71.51
    propylene carbonate 155.26
    n-methylformamide 319.58
    2-pentanol 113.1
    n-pentane 3.88
    1-propoxy-2-propanol 233.01
    1-methoxy-2-propyl acetate 133.05
    2-(2-methoxypropoxy) propanol 163.61
    mesitylene 21.59
    ε-caprolactone 174.64
    p-cymene 17.62
    epichlorohydrin 189.21
    1,1,1-trichloroethane 27.62
    2-aminoethanol 603.45
    morpholine-4-carbaldehyde 341.14
    sulfolane 425.93
    2,2,4-trimethylpentane 5.87
    2-methyltetrahydrofuran 211.41
    n-hexyl acetate 83.82
    isooctane 6.26
    2-(2-butoxyethoxy)ethanol 237.29
    sec-butyl acetate 57.47
    tert-butyl acetate 129.46
    decalin 6.86
    glycerin 492.5
    diglyme 329.37
    acrylic acid 181.64
    isopropyl myristate 32.01
    n-butyric acid 271.89
    acetyl acetate 58.88
    di(2-ethylhexyl) phthalate 50.04
    ethyl propionate 55.06
    nitromethane 282.8
    1,2-diethoxyethane 82.51
    benzonitrile 57.13
    trioctyl phosphate 39.87
    1-bromopropane 14.07
    gamma-valerolactone 357.02
    n-decanol 42.08
    triethyl phosphate 38.56
    4-methyl-2-pentanol 105.4
    propionitrile 46.91
    vinylene carbonate 109.17
    1,1,2-trichlorotrifluoroethane 232.98
    DMS 52.5
    cumene 19.79
    2-octanol 47.34
    2-hexanone 91.56
    octyl acetate 43.77
    limonene 26.05
    1,2-dimethoxyethane 353.02
    ethyl orthosilicate 38.01
    tributyl phosphate 44.4
    diacetone alcohol 276.08
    N,N-dimethylaniline 56.33
    acrylonitrile 69.67
    aniline 47.96
    1,3-propanediol 557.69
    bromobenzene 14.0
    dibromomethane 15.67
    1,1,2,2-tetrachloroethane 61.16
    2-methyl-cyclohexyl acetate 69.94
    tetrabutyl urea 63.51
    diisobutyl methanol 53.18
    2-phenylethanol 93.99
    styrene 16.33
    dioctyl adipate 57.59
    dimethyl sulfate 89.72
    ethyl butyrate 64.67
    methyl lactate 116.31
    butyl lactate 86.59
    diethyl carbonate 40.16
    propanediol butyl ether 219.6
    triethyl orthoformate 49.17
    p-tert-butyltoluene 19.15
    methyl 4-tert-butylbenzoate 89.44
    morpholine 245.63
    tert-butylamine 204.08
    n-dodecanol 30.37
    dimethoxymethane 171.43
    ethylene carbonate 95.08
    cyrene 148.95
    2-ethoxyethyl acetate 81.02
    2-ethylhexyl acetate 74.68
    1,2,4-trichlorobenzene 31.93
    4-methylpyridine 69.69
    dibutyl ether 32.15
    2,6-dimethyl-4-heptanol 53.18
    DEF 142.99
    dimethyl isosorbide 229.17
    tetrachloroethylene 52.43
    eugenol 109.51
    triacetin 81.38
    span 80 145.76
    1,4-butanediol 257.44
    1,1-dichloroethane 21.11
    2-methyl-1-pentanol 177.29
    methyl formate 174.75
    2-methyl-1-butanol 187.03
    n-decane 3.77
    butyronitrile 67.23
    3,7-dimethyl-1-octanol 76.46
    1-chlorooctane 15.53
    1-chlorotetradecane 7.13
    n-nonane 3.54
    undecane 2.99
    tert-butylcyclohexane 9.11
    cyclooctane 2.68
    cyclopentanol 248.88
    tetrahydropyran 96.65
    tert-amyl methyl ether 92.63
    2,5,8-trioxanonane 245.06
    1-hexene 28.4
    2-isopropoxyethanol 242.94
    2,2,2-trifluoroethanol 114.6
    methyl butyrate 102.15

    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