Hexanoic acid, 2-hydroxy-, ethyl ester

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  • Identifiers

    CAS number
    52089-55-1

    Molecular formula
    C8H16O3

    SMILES
    CCCCC(C(=O)OCC)O

  • Odor profile

    Fragrance
    Fruity 93.05%
    Caramellic 51.43%
    Winey 51.43%
    Sweet 46.69%
    Buttery 43.63%
    Pineapple 39.08%
    Oily 35.12%
    Apple 34.46%
    Ethereal 30.62%
    Fermented 29.39%

     

    Flavor
    Fruity 71.86%
    Sweet 42.59%
    Waxy 39.56%
    Creamy 35.41%
    Berry 32.18%
    Fruit 31.87%
    Cheese 30.52%
    Tropical 30.09%
    Buttery 30.0%
    Oily 28.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.07 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    201°C

    Flash point

    • 83.83 ˚C est.

  • Synonyms

    • Ethyl 2-hydroxyhexanoate
    • 52089-55-1
    • Ethyl 2-hydroxycaproate
    • Ethyl dl-2-hydroxycaproate
    • Hexanoic acid, 2-hydroxy-, ethyl ester
    • 124439-28-7
    • EINECS 257-655-2
    • Ethyl 2-hydroxyhexanoate #
    • SCHEMBL309000
    • Ethyl 2-(DL)-hydroxyhexanoate
    • Ethyl 2-hydroxyhexanoate, 98%
    • DTXSID30966448
    • 2-hydroxy-hexanoic acid ethyl ester
    • NSC 57377
    • AKOS009156962
    • SB84379
    • AS-80088
    • DB-114421
    • Ethyl (+/-)-2-hydroxycaproate, >=97%
    • CS-0365271
    • NS00059201
    • Ethyl 2-hydroxyhexanoate, purum, >=98.0% (GC)

  • Applications

    Ethyl 2-hydroxyhexanoate (Hexanoic acid, 2-hydroxy-, ethyl ester, CAS 52089-55-1) is used as a fragrance ingredient and, in select flavor applications, as a flavor precursor, contributing subtle fruity notes in perfumery and taste formulations. It also serves as an intermediate for the synthesis of esters and polyesters and can be employed as a processing aid or solvent in industrial coatings, inks, and cleaning formulations. In cosmetics and personal care, it is used as a fragrance component within formulations. Additionally, it can function as a feedstock in polymer and resin production under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2640.68
    methanol 4632.37
    isopropanol 2010.41
    water 6.42
    ethyl acetate 929.21
    n-propanol 1881.61
    acetone 1764.46
    n-butanol 1472.39
    acetonitrile 1075.61
    DMF 2396.46
    toluene 217.34
    isobutanol 1314.33
    1,4-dioxane 1791.31
    methyl acetate 952.66
    THF 1609.89
    2-butanone 993.25
    n-pentanol 950.65
    sec-butanol 1495.19
    n-hexane 62.31
    ethylene glycol 816.89
    NMP 1438.7
    cyclohexane 165.55
    DMSO 2820.41
    n-butyl acetate 854.33
    n-octanol 387.92
    chloroform 1719.14
    n-propyl acetate 617.42
    acetic acid 3148.44
    dichloromethane 1677.99
    cyclohexanone 1463.84
    propylene glycol 797.59
    isopropyl acetate 556.28
    DMAc 1299.96
    2-ethoxyethanol 1323.57
    isopentanol 1107.0
    n-heptane 42.11
    ethyl formate 967.94
    1,2-dichloroethane 1264.85
    n-hexanol 907.01
    2-methoxyethanol 2517.41
    isobutyl acetate 356.26
    tetrachloromethane 240.81
    n-pentyl acetate 471.2
    transcutol 2370.71
    n-heptanol 388.24
    ethylbenzene 176.87
    MIBK 449.4
    2-propoxyethanol 1260.03
    tert-butanol 2193.51
    MTBE 1119.06
    2-butoxyethanol 682.47
    propionic acid 1340.88
    o-xylene 197.27
    formic acid 1395.09
    diethyl ether 816.53
    m-xylene 174.1
    p-xylene 246.41
    chlorobenzene 553.04
    dimethyl carbonate 250.18
    n-octane 29.49
    formamide 1557.22
    cyclopentanone 1361.37
    2-pentanone 750.86
    anisole 407.28
    cyclopentyl methyl ether 616.82
    gamma-butyrolactone 1702.85
    1-methoxy-2-propanol 1352.53
    pyridine 1102.39
    3-pentanone 478.03
    furfural 1526.07
    n-dodecane 28.41
    diethylene glycol 1172.34
    diisopropyl ether 200.79
    tert-amyl alcohol 1623.19
    acetylacetone 847.93
    n-hexadecane 31.97
    acetophenone 439.84
    methyl propionate 638.13
    isopentyl acetate 718.98
    trichloroethylene 2104.59
    n-nonanol 307.51
    cyclohexanol 1135.55
    benzyl alcohol 502.76
    2-ethylhexanol 441.7
    isooctanol 295.61
    dipropyl ether 303.61
    1,2-dichlorobenzene 498.93
    ethyl lactate 305.22
    propylene carbonate 933.69
    n-methylformamide 1488.58
    2-pentanol 853.14
    n-pentane 67.35
    1-propoxy-2-propanol 803.73
    1-methoxy-2-propyl acetate 570.65
    2-(2-methoxypropoxy) propanol 480.01
    mesitylene 135.39
    ε-caprolactone 1261.99
    p-cymene 144.97
    epichlorohydrin 1663.14
    1,1,1-trichloroethane 901.24
    2-aminoethanol 1303.39
    morpholine-4-carbaldehyde 1404.57
    sulfolane 1932.82
    2,2,4-trimethylpentane 54.43
    2-methyltetrahydrofuran 1116.9
    n-hexyl acetate 619.74
    isooctane 38.27
    2-(2-butoxyethoxy)ethanol 757.52
    sec-butyl acetate 362.05
    tert-butyl acetate 573.15
    decalin 74.2
    glycerin 1013.96
    diglyme 1309.01
    acrylic acid 1187.54
    isopropyl myristate 203.05
    n-butyric acid 1834.55
    acetyl acetate 611.7
    di(2-ethylhexyl) phthalate 219.83
    ethyl propionate 414.78
    nitromethane 2775.23
    1,2-diethoxyethane 741.32
    benzonitrile 642.45
    trioctyl phosphate 176.13
    1-bromopropane 619.43
    gamma-valerolactone 1868.14
    n-decanol 213.53
    triethyl phosphate 196.47
    4-methyl-2-pentanol 403.2
    propionitrile 886.67
    vinylene carbonate 887.42
    1,1,2-trichlorotrifluoroethane 1388.55
    DMS 386.86
    cumene 140.3
    2-octanol 278.75
    2-hexanone 573.15
    octyl acetate 279.26
    limonene 235.07
    1,2-dimethoxyethane 1787.74
    ethyl orthosilicate 194.11
    tributyl phosphate 214.03
    diacetone alcohol 735.84
    N,N-dimethylaniline 275.58
    acrylonitrile 1183.12
    aniline 500.31
    1,3-propanediol 1729.26
    bromobenzene 496.14
    dibromomethane 1048.22
    1,1,2,2-tetrachloroethane 1708.82
    2-methyl-cyclohexyl acetate 333.21
    tetrabutyl urea 270.1
    diisobutyl methanol 240.96
    2-phenylethanol 471.81
    styrene 246.52
    dioctyl adipate 298.05
    dimethyl sulfate 434.19
    ethyl butyrate 449.75
    methyl lactate 454.87
    butyl lactate 403.78
    diethyl carbonate 308.98
    propanediol butyl ether 715.52
    triethyl orthoformate 298.45
    p-tert-butyltoluene 141.32
    methyl 4-tert-butylbenzoate 378.98
    morpholine 2042.13
    tert-butylamine 1148.13
    n-dodecanol 156.09
    dimethoxymethane 931.58
    ethylene carbonate 781.18
    cyrene 442.25
    2-ethoxyethyl acetate 541.53
    2-ethylhexyl acetate 485.21
    1,2,4-trichlorobenzene 538.27
    4-methylpyridine 938.88
    dibutyl ether 338.42
    2,6-dimethyl-4-heptanol 240.96
    DEF 940.71
    dimethyl isosorbide 708.92
    tetrachloroethylene 1255.85
    eugenol 415.23
    triacetin 439.01
    span 80 491.8
    1,4-butanediol 725.82
    1,1-dichloroethane 1119.25
    2-methyl-1-pentanol 760.32
    methyl formate 1112.81
    2-methyl-1-butanol 1033.34
    n-decane 46.14
    butyronitrile 993.58
    3,7-dimethyl-1-octanol 342.24
    1-chlorooctane 198.16
    1-chlorotetradecane 79.4
    n-nonane 44.31
    undecane 35.01
    tert-butylcyclohexane 66.03
    cyclooctane 40.77
    cyclopentanol 1147.15
    tetrahydropyran 1362.78
    tert-amyl methyl ether 634.97
    2,5,8-trioxanonane 841.95
    1-hexene 271.51
    2-isopropoxyethanol 784.83
    2,2,2-trifluoroethanol 675.69
    methyl butyrate 725.59

    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