Ethyl 6-hydroxyhexanoate

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  • Identifiers

    CAS number
    5299-60-5

    Molecular formula
    C8H16O3

    SMILES
    CCOC(=O)CCCCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 71.59%
    Oily 34.15%
    Sweet 33.48%
    Ethereal 33.05%
    Winey 31.69%
    Buttery 27.31%
    Caramellic 26.79%
    Fatty 25.46%
    Fresh 24.89%
    Alcoholic 24.79%

     

    Flavor
    Fruity 77.8%
    Pineapple 61.81%
    Sweet 60.73%
    Fruit 54.41%
    Tropical 39.58%
    Apple 36.15%
    Grape 35.91%
    Green 35.84%
    Berry 34.53%
    Wine 34.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.63 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    241°C

    Flash point

    • 107.87 ˚C est.

  • Synonyms

    • Ethyl 6-hydroxyhexanoate
    • 5299-60-5
    • DTXSID60326814
    • RefChem:138846
    • DTXCID50277927
    • 962-755-0
    • MFCD00075601
    • 6-hydroxyHexanoic acid ethyl ester
    • Hexanoic acid, 6-hydroxy-, ethyl ester
    • 6-hydroxy-hexanoic acid ethyl ester
    • 5-Ethoxycarbonylpentan-1-ol; 6-Hydroxyhexanoic Acid Ethyl Ester; Ethyl 6-Hydroxycaproate; Ethyl epsilon-Hydroxycaproate; NSC 617304
    • NSC617304
    • ethyl-6-hydroxyhexanoate
    • ethyl 6-hydroxy-hexanoate
    • 5-ethoxycarbonyl-1-pentanol
    • SCHEMBL247007
    • SCHEMBL632459
    • SCHEMBL632460
    • orb2664776
    • SCHEMBL2076370
    • Ethyl 6-hydroxyhexanoate, 97%
    • SCHEMBL10405617
    • FAA29960
    • AKOS009156692
    • CS-W023138
    • NSC-617304
    • CS-12600
    • DA-19186
    • SY116371
    • Hexanoic acid, 6-?hydroxy-?, ethyl ester
    • E1305
    • EN300-200547
    • F324096
    • 5299-60-5

  • Applications

    Ethyl 6-hydroxyhexanoate, CAS 5299-60-5, is the ethyl ester of 6-hydroxyhexanoic acid and is commonly used as a synthetic intermediate for the production of polyesters and polyurethanes, where the terminal hydroxy group enables functionalization; it can also serve as a plasticizer or processing aid in coatings, inks, and plastics, improving flexibility and processability; in cosmetic and cleaning formulations, it may act as a solvent or co-solvent; in the perfumery industry, it is used as a fragrance ingredient or odorant and may function as a fragrance fixative; additionally, it can be a precursor to other functional derivatives, depending on process conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2475.61
    methanol 4584.54
    isopropanol 1721.86
    water 9.05
    ethyl acetate 509.31
    n-propanol 1563.94
    acetone 1411.98
    n-butanol 1211.35
    acetonitrile 1064.87
    DMF 2189.95
    toluene 122.86
    isobutanol 998.34
    1,4-dioxane 1314.62
    methyl acetate 521.48
    THF 1418.42
    2-butanone 673.62
    n-pentanol 764.2
    sec-butanol 1057.47
    n-hexane 59.23
    ethylene glycol 643.65
    NMP 1070.82
    cyclohexane 80.36
    DMSO 2792.92
    n-butyl acetate 325.17
    n-octanol 202.68
    chloroform 1143.62
    n-propyl acetate 317.65
    acetic acid 2482.97
    dichloromethane 1072.14
    cyclohexanone 873.07
    propylene glycol 726.39
    isopropyl acetate 276.42
    DMAc 1089.74
    2-ethoxyethanol 1029.9
    isopentanol 783.57
    n-heptane 23.1
    ethyl formate 496.98
    1,2-dichloroethane 755.94
    n-hexanol 498.46
    2-methoxyethanol 2047.59
    isobutyl acetate 199.52
    tetrachloromethane 141.65
    n-pentyl acetate 202.17
    transcutol 1688.54
    n-heptanol 172.75
    ethylbenzene 86.82
    MIBK 274.94
    2-propoxyethanol 755.11
    tert-butanol 1652.24
    MTBE 590.99
    2-butoxyethanol 359.56
    propionic acid 1040.02
    o-xylene 102.52
    formic acid 1167.7
    diethyl ether 559.46
    m-xylene 99.43
    p-xylene 127.1
    chlorobenzene 279.46
    dimethyl carbonate 125.99
    n-octane 11.34
    formamide 1088.78
    cyclopentanone 942.81
    2-pentanone 503.55
    anisole 237.59
    cyclopentyl methyl ether 475.4
    gamma-butyrolactone 1025.38
    1-methoxy-2-propanol 1082.12
    pyridine 756.99
    3-pentanone 296.83
    furfural 887.98
    n-dodecane 11.43
    diethylene glycol 746.81
    diisopropyl ether 98.59
    tert-amyl alcohol 993.04
    acetylacetone 483.48
    n-hexadecane 12.67
    acetophenone 245.88
    methyl propionate 355.29
    isopentyl acetate 288.36
    trichloroethylene 1112.22
    n-nonanol 163.48
    cyclohexanol 761.96
    benzyl alcohol 327.09
    2-ethylhexanol 219.17
    isooctanol 132.63
    dipropyl ether 180.91
    1,2-dichlorobenzene 235.59
    ethyl lactate 184.8
    propylene carbonate 466.05
    n-methylformamide 1181.58
    2-pentanol 575.43
    n-pentane 49.61
    1-propoxy-2-propanol 453.2
    1-methoxy-2-propyl acetate 280.12
    2-(2-methoxypropoxy) propanol 325.29
    mesitylene 67.82
    ε-caprolactone 701.51
    p-cymene 61.39
    epichlorohydrin 979.6
    1,1,1-trichloroethane 473.94
    2-aminoethanol 1159.86
    morpholine-4-carbaldehyde 1069.43
    sulfolane 1230.38
    2,2,4-trimethylpentane 28.63
    2-methyltetrahydrofuran 899.01
    n-hexyl acetate 299.25
    isooctane 19.38
    2-(2-butoxyethoxy)ethanol 500.05
    sec-butyl acetate 184.69
    tert-butyl acetate 305.52
    decalin 34.81
    glycerin 903.23
    diglyme 810.87
    acrylic acid 908.67
    isopropyl myristate 100.9
    n-butyric acid 1174.03
    acetyl acetate 305.99
    di(2-ethylhexyl) phthalate 130.6
    ethyl propionate 232.6
    nitromethane 2044.5
    1,2-diethoxyethane 377.58
    benzonitrile 399.77
    trioctyl phosphate 97.09
    1-bromopropane 408.01
    gamma-valerolactone 1158.43
    n-decanol 112.92
    triethyl phosphate 106.57
    4-methyl-2-pentanol 240.0
    propionitrile 745.35
    vinylene carbonate 453.34
    1,1,2-trichlorotrifluoroethane 965.81
    DMS 200.28
    cumene 68.91
    2-octanol 122.43
    2-hexanone 373.25
    octyl acetate 136.9
    limonene 101.09
    1,2-dimethoxyethane 1246.93
    ethyl orthosilicate 104.86
    tributyl phosphate 123.07
    diacetone alcohol 458.41
    N,N-dimethylaniline 172.33
    acrylonitrile 869.0
    aniline 346.61
    1,3-propanediol 1411.68
    bromobenzene 239.53
    dibromomethane 699.4
    1,1,2,2-tetrachloroethane 983.89
    2-methyl-cyclohexyl acetate 175.62
    tetrabutyl urea 156.92
    diisobutyl methanol 114.79
    2-phenylethanol 236.12
    styrene 129.87
    dioctyl adipate 175.13
    dimethyl sulfate 265.76
    ethyl butyrate 200.82
    methyl lactate 286.96
    butyl lactate 212.04
    diethyl carbonate 140.25
    propanediol butyl ether 443.98
    triethyl orthoformate 146.0
    p-tert-butyltoluene 59.64
    methyl 4-tert-butylbenzoate 217.74
    morpholine 1706.56
    tert-butylamine 820.02
    n-dodecanol 84.38
    dimethoxymethane 640.3
    ethylene carbonate 379.01
    cyrene 316.99
    2-ethoxyethyl acetate 271.33
    2-ethylhexyl acetate 199.39
    1,2,4-trichlorobenzene 279.51
    4-methylpyridine 621.55
    dibutyl ether 174.73
    2,6-dimethyl-4-heptanol 114.79
    DEF 660.71
    dimethyl isosorbide 415.42
    tetrachloroethylene 701.3
    eugenol 243.63
    triacetin 272.35
    span 80 313.02
    1,4-butanediol 567.64
    1,1-dichloroethane 651.24
    2-methyl-1-pentanol 527.02
    methyl formate 675.47
    2-methyl-1-butanol 733.21
    n-decane 19.23
    butyronitrile 793.32
    3,7-dimethyl-1-octanol 189.71
    1-chlorooctane 88.94
    1-chlorotetradecane 34.15
    n-nonane 18.51
    undecane 14.1
    tert-butylcyclohexane 33.5
    cyclooctane 18.51
    cyclopentanol 905.64
    tetrahydropyran 1103.08
    tert-amyl methyl ether 357.88
    2,5,8-trioxanonane 560.87
    1-hexene 249.81
    2-isopropoxyethanol 553.05
    2,2,2-trifluoroethanol 539.38
    methyl butyrate 394.37

    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