2-Ethyl-3-hydroxyhexanoic acid

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  • Identifiers

    CAS number
    29671-57-6

    Molecular formula
    C8H16O3

    SMILES
    CCCC(C(CC)C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 76.66%
    Sweet 40.17%
    Cheesy 37.89%
    Tropical 33.44%
    Herbal 30.3%
    Oily 28.02%
    Sour 26.83%
    Berry 26.69%
    Grape 26.38%
    Buttery 25.73%

     

    Flavor
    Fruity 49.13%
    Odorless 44.54%
    Cheese 31.76%
    Sour 30.21%
    Acidic 27.2%
    Mild 26.16%
    Tropical 22.82%
    Stinky 22.36%
    Roquefort cheese 22.13%
    Animal 21.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.9 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    261°C

    Flash point

    • 129.64 ˚C est.

  • Synonyms

    • 2-ethyl-3-hydroxyhexanoic acid
    • 29671-57-6
    • AQN9A3G6A5
    • RefChem:86888
    • 2-Ethyl-3-hydroxycaproic acid
    • Hexanoic acid, 2-ethyl-3-hydroxy-
    • MFCD16749639
    • UNII-AQN9A3G6A5
    • 2-ethyl-3-hydroxyhexanoicacid
    • SCHEMBL1716610
    • 2-ethyl-3-hydroxy-hexanoic acid
    • AKOS011686204
    • G65127
    • 29671-57-6

  • Applications

    2-Ethyl-3-hydroxyhexanoic acid (CAS 29671-57-6) is a branched fatty acid bearing a carboxyl group and a secondary hydroxyl, commonly used as a building block in organic synthesis. In industrial settings, it is primarily employed as an intermediate for the preparation of esters and other derivatives used in specialty polymers and polyester-type materials. It can also serve as a chiral starting material for fragrance and flavor compound synthesis. In cosmetics and personal care, it may be used as a precursor to cosmetic esters or functional derivatives that modify formulation properties. In pharmaceutical research and development, it may serve as a chiral intermediate in the synthesis of pharmaceutical compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 841.82
    methanol 1440.33
    isopropanol 657.2
    water 8.11
    ethyl acetate 123.52
    n-propanol 517.37
    acetone 287.01
    n-butanol 400.14
    acetonitrile 161.38
    DMF 836.0
    toluene 21.87
    isobutanol 341.65
    1,4-dioxane 740.31
    methyl acetate 119.78
    THF 1019.07
    2-butanone 134.55
    n-pentanol 305.51
    sec-butanol 355.5
    n-hexane 17.23
    ethylene glycol 354.04
    NMP 711.11
    cyclohexane 24.23
    DMSO 1342.8
    n-butyl acetate 137.35
    n-octanol 133.47
    chloroform 221.92
    n-propyl acetate 88.59
    acetic acid 540.93
    dichloromethane 232.03
    cyclohexanone 381.54
    propylene glycol 417.77
    isopropyl acetate 90.42
    DMAc 337.92
    2-ethoxyethanol 339.82
    isopentanol 282.43
    n-heptane 13.59
    ethyl formate 157.51
    1,2-dichloroethane 161.75
    n-hexanol 337.8
    2-methoxyethanol 765.1
    isobutyl acetate 64.43
    tetrachloromethane 35.05
    n-pentyl acetate 89.77
    transcutol 487.52
    n-heptanol 139.57
    ethylbenzene 25.8
    MIBK 111.63
    2-propoxyethanol 469.13
    tert-butanol 579.35
    MTBE 145.93
    2-butoxyethanol 208.45
    propionic acid 333.92
    o-xylene 32.07
    formic acid 316.6
    diethyl ether 128.95
    m-xylene 34.98
    p-xylene 34.78
    chlorobenzene 67.28
    dimethyl carbonate 53.0
    n-octane 6.71
    formamide 283.44
    cyclopentanone 512.13
    2-pentanone 147.15
    anisole 75.69
    cyclopentyl methyl ether 245.63
    gamma-butyrolactone 699.72
    1-methoxy-2-propanol 559.26
    pyridine 163.11
    3-pentanone 70.22
    furfural 385.93
    n-dodecane 7.03
    diethylene glycol 431.77
    diisopropyl ether 41.74
    tert-amyl alcohol 322.89
    acetylacetone 169.15
    n-hexadecane 7.87
    acetophenone 88.84
    methyl propionate 115.78
    isopentyl acetate 124.55
    trichloroethylene 252.11
    n-nonanol 109.99
    cyclohexanol 311.89
    benzyl alcohol 120.6
    2-ethylhexanol 138.82
    isooctanol 107.6
    dipropyl ether 88.61
    1,2-dichlorobenzene 76.24
    ethyl lactate 91.86
    propylene carbonate 313.05
    n-methylformamide 415.7
    2-pentanol 228.42
    n-pentane 15.19
    1-propoxy-2-propanol 304.15
    1-methoxy-2-propyl acetate 159.38
    2-(2-methoxypropoxy) propanol 162.12
    mesitylene 33.71
    ε-caprolactone 331.81
    p-cymene 34.96
    epichlorohydrin 532.21
    1,1,1-trichloroethane 98.55
    2-aminoethanol 550.74
    morpholine-4-carbaldehyde 513.86
    sulfolane 954.59
    2,2,4-trimethylpentane 11.53
    2-methyltetrahydrofuran 477.91
    n-hexyl acetate 144.32
    isooctane 12.9
    2-(2-butoxyethoxy)ethanol 253.36
    sec-butyl acetate 54.86
    tert-butyl acetate 119.19
    decalin 15.0
    glycerin 488.88
    diglyme 344.69
    acrylic acid 283.11
    isopropyl myristate 58.12
    n-butyric acid 379.25
    acetyl acetate 77.29
    di(2-ethylhexyl) phthalate 79.97
    ethyl propionate 71.31
    nitromethane 465.48
    1,2-diethoxyethane 122.8
    benzonitrile 115.24
    trioctyl phosphate 72.21
    1-bromopropane 79.35
    gamma-valerolactone 636.01
    n-decanol 83.9
    triethyl phosphate 52.2
    4-methyl-2-pentanol 128.37
    propionitrile 132.99
    vinylene carbonate 227.39
    1,1,2-trichlorotrifluoroethane 369.26
    DMS 86.15
    cumene 30.18
    2-octanol 92.77
    2-hexanone 106.77
    octyl acetate 79.75
    limonene 57.75
    1,2-dimethoxyethane 423.46
    ethyl orthosilicate 49.56
    tributyl phosphate 68.78
    diacetone alcohol 242.16
    N,N-dimethylaniline 68.22
    acrylonitrile 169.52
    aniline 83.87
    1,3-propanediol 577.87
    bromobenzene 51.82
    dibromomethane 142.08
    1,1,2,2-tetrachloroethane 252.36
    2-methyl-cyclohexyl acetate 102.26
    tetrabutyl urea 96.89
    diisobutyl methanol 79.9
    2-phenylethanol 137.12
    styrene 27.36
    dioctyl adipate 89.2
    dimethyl sulfate 135.98
    ethyl butyrate 84.18
    methyl lactate 151.95
    butyl lactate 118.22
    diethyl carbonate 55.98
    propanediol butyl ether 242.59
    triethyl orthoformate 68.32
    p-tert-butyltoluene 36.02
    methyl 4-tert-butylbenzoate 130.71
    morpholine 810.22
    tert-butylamine 272.88
    n-dodecanol 63.12
    dimethoxymethane 297.74
    ethylene carbonate 205.41
    cyrene 208.18
    2-ethoxyethyl acetate 104.52
    2-ethylhexyl acetate 86.52
    1,2,4-trichlorobenzene 98.12
    4-methylpyridine 139.87
    dibutyl ether 65.7
    2,6-dimethyl-4-heptanol 79.9
    DEF 199.69
    dimethyl isosorbide 288.61
    tetrachloroethylene 148.37
    eugenol 132.63
    triacetin 111.37
    span 80 194.88
    1,4-butanediol 261.24
    1,1-dichloroethane 122.54
    2-methyl-1-pentanol 208.04
    methyl formate 263.32
    2-methyl-1-butanol 237.47
    n-decane 10.81
    butyronitrile 169.79
    3,7-dimethyl-1-octanol 110.13
    1-chlorooctane 49.68
    1-chlorotetradecane 20.26
    n-nonane 10.3
    undecane 8.48
    tert-butylcyclohexane 16.07
    cyclooctane 8.46
    cyclopentanol 501.74
    tetrahydropyran 441.08
    tert-amyl methyl ether 101.58
    2,5,8-trioxanonane 274.77
    1-hexene 51.89
    2-isopropoxyethanol 205.96
    2,2,2-trifluoroethanol 140.85
    methyl butyrate 112.5

    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