Ethyl 5-hydroxyoctanoate

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  • Identifiers

    CAS number
    75587-05-2

    Molecular formula
    C10H20O3

    SMILES
    CCCC(CCCC(=O)OCC)O

  • Odor profile

    Fragrance
    Fruity 90.31%
    Sweet 60.25%
    Oily 44.03%
    Winey 42.95%
    Fatty 38.44%
    Pineapple 38.08%
    Tropical 35.16%
    Fresh 34.15%
    Buttery 32.58%
    Peach 31.79%

     

    Flavor
    Fruity 84.85%
    Pineapple 56.05%
    Tropical 47.52%
    Sweet 46.78%
    Fruit 38.58%
    Berry 35.51%
    Grape 35.48%
    Green 34.79%
    Ripe 32.74%
    Fresh 30.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.34 (weak base)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    245°C

    Flash point

    • 110.66 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 5-hydroxyoctanoate
    • 75587-05-2
    • UNII-DM8A2QF55Y
    • DM8A2QF55Y
    • Octanoic acid, 5-hydroxy-, ethyl ester
    • FEMA NO. 4610
    • (+/-)-ETHYL 5-HYDROXYOCTANOATE
    • ETHYL 5-HYDROXYOCTANOATE, (+/-)-
    • SCHEMBL1244084
    • DTXSID00868364
    • NS00121615
    • Q27276485

  • Applications

    Ethyl 5-hydroxyoctanoate is primarily used as a chemical intermediate and fragrance-building block. In perfumery and cosmetics, it serves as a scent ingredient or a precursor to more complex aroma compounds. In polymer and plastics chemistry, the molecule's hydroxyl group enables functionalization, allowing it to act as a monomer or a chain extender for aliphatic polyesters and related materials. In coatings and inks, it can contribute fragrance notes and serve as a synthetic building block for specialty esters used in formulations. In cleaning and household products, it may be used as a fragrance component or intermediate in fragrance-rich formulations. Its use is formulation-specific and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4812.22
    methanol 8118.32
    isopropanol 3253.91
    water 3.45
    ethyl acetate 2365.71
    n-propanol 2905.16
    acetone 6161.4
    n-butanol 2190.66
    acetonitrile 3040.75
    DMF 5137.7
    toluene 377.14
    isobutanol 1940.17
    1,4-dioxane 2648.91
    methyl acetate 1727.99
    THF 4783.32
    2-butanone 2353.32
    n-pentanol 1392.84
    sec-butanol 2033.2
    n-hexane 134.64
    ethylene glycol 716.34
    NMP 3574.26
    cyclohexane 142.22
    DMSO 8461.13
    n-butyl acetate 1301.73
    n-octanol 428.3
    chloroform 2367.3
    n-propyl acetate 1245.75
    acetic acid 5705.37
    dichloromethane 2533.29
    cyclohexanone 3212.38
    propylene glycol 1033.71
    isopropyl acetate 1396.0
    DMAc 2566.82
    2-ethoxyethanol 1881.13
    isopentanol 1665.05
    n-heptane 42.49
    ethyl formate 1321.96
    1,2-dichloroethane 1908.02
    n-hexanol 937.95
    2-methoxyethanol 3646.54
    isobutyl acetate 716.89
    tetrachloromethane 275.03
    n-pentyl acetate 713.95
    transcutol 5886.41
    n-heptanol 328.35
    ethylbenzene 218.26
    MIBK 1118.16
    2-propoxyethanol 1641.09
    tert-butanol 3129.04
    MTBE 1776.81
    2-butoxyethanol 730.93
    propionic acid 2413.15
    o-xylene 266.43
    formic acid 1932.2
    diethyl ether 2078.22
    m-xylene 302.58
    p-xylene 304.22
    chlorobenzene 802.09
    dimethyl carbonate 501.11
    n-octane 20.84
    formamide 2488.93
    cyclopentanone 3684.39
    2-pentanone 2333.44
    anisole 612.49
    cyclopentyl methyl ether 1828.43
    gamma-butyrolactone 4181.19
    1-methoxy-2-propanol 2538.28
    pyridine 1634.78
    3-pentanone 1155.91
    furfural 2482.52
    n-dodecane 18.31
    diethylene glycol 1241.01
    diisopropyl ether 404.15
    tert-amyl alcohol 1946.13
    acetylacetone 2337.61
    n-hexadecane 21.5
    acetophenone 665.56
    methyl propionate 1492.36
    isopentyl acetate 1000.4
    trichloroethylene 3365.87
    n-nonanol 339.55
    cyclohexanol 1684.66
    benzyl alcohol 633.29
    2-ethylhexanol 446.09
    isooctanol 270.44
    dipropyl ether 534.74
    1,2-dichlorobenzene 678.32
    ethyl lactate 450.22
    propylene carbonate 1764.68
    n-methylformamide 2829.31
    2-pentanol 1375.76
    n-pentane 94.53
    1-propoxy-2-propanol 1154.52
    1-methoxy-2-propyl acetate 1085.98
    2-(2-methoxypropoxy) propanol 737.29
    mesitylene 194.54
    ε-caprolactone 2562.43
    p-cymene 136.72
    epichlorohydrin 3395.11
    1,1,1-trichloroethane 1302.31
    2-aminoethanol 1552.72
    morpholine-4-carbaldehyde 2689.31
    sulfolane 4713.42
    2,2,4-trimethylpentane 58.16
    2-methyltetrahydrofuran 2848.95
    n-hexyl acetate 1013.45
    isooctane 46.01
    2-(2-butoxyethoxy)ethanol 1222.35
    sec-butyl acetate 745.43
    tert-butyl acetate 1388.63
    decalin 75.15
    glycerin 1285.42
    diglyme 2022.69
    acrylic acid 1903.3
    isopropyl myristate 283.16
    n-butyric acid 3320.66
    acetyl acetate 1286.3
    di(2-ethylhexyl) phthalate 286.3
    ethyl propionate 885.98
    nitromethane 6927.98
    1,2-diethoxyethane 1323.05
    benzonitrile 928.21
    trioctyl phosphate 209.76
    1-bromopropane 985.75
    gamma-valerolactone 3931.12
    n-decanol 225.58
    triethyl phosphate 273.89
    4-methyl-2-pentanol 563.48
    propionitrile 1557.0
    vinylene carbonate 1452.26
    1,1,2-trichlorotrifluoroethane 2125.27
    DMS 725.36
    cumene 155.75
    2-octanol 263.17
    2-hexanone 1307.5
    octyl acetate 378.56
    limonene 258.9
    1,2-dimethoxyethane 2690.5
    ethyl orthosilicate 271.6
    tributyl phosphate 324.6
    diacetone alcohol 1538.41
    N,N-dimethylaniline 390.24
    acrylonitrile 1849.05
    aniline 853.46
    1,3-propanediol 2077.77
    bromobenzene 757.38
    dibromomethane 1617.65
    1,1,2,2-tetrachloroethane 2579.77
    2-methyl-cyclohexyl acetate 498.57
    tetrabutyl urea 400.74
    diisobutyl methanol 240.79
    2-phenylethanol 510.71
    styrene 308.06
    dioctyl adipate 486.43
    dimethyl sulfate 1036.02
    ethyl butyrate 680.72
    methyl lactate 733.24
    butyl lactate 638.77
    diethyl carbonate 410.67
    propanediol butyl ether 1007.72
    triethyl orthoformate 435.38
    p-tert-butyltoluene 136.5
    methyl 4-tert-butylbenzoate 538.29
    morpholine 3743.44
    tert-butylamine 1544.65
    n-dodecanol 157.64
    dimethoxymethane 1982.11
    ethylene carbonate 1305.64
    cyrene 673.13
    2-ethoxyethyl acetate 981.51
    2-ethylhexyl acetate 695.71
    1,2,4-trichlorobenzene 801.35
    4-methylpyridine 1811.31
    dibutyl ether 615.97
    2,6-dimethyl-4-heptanol 240.79
    DEF 2196.02
    dimethyl isosorbide 1124.94
    tetrachloroethylene 1570.78
    eugenol 523.15
    triacetin 924.23
    span 80 721.11
    1,4-butanediol 764.12
    1,1-dichloroethane 1832.65
    2-methyl-1-pentanol 1011.47
    methyl formate 1728.37
    2-methyl-1-butanol 1499.16
    n-decane 36.17
    butyronitrile 1839.4
    3,7-dimethyl-1-octanol 426.92
    1-chlorooctane 228.52
    1-chlorotetradecane 69.91
    n-nonane 35.44
    undecane 24.22
    tert-butylcyclohexane 73.79
    cyclooctane 36.79
    cyclopentanol 2028.07
    tetrahydropyran 2935.92
    tert-amyl methyl ether 1040.87
    2,5,8-trioxanonane 1260.97
    1-hexene 600.95
    2-isopropoxyethanol 1096.92
    2,2,2-trifluoroethanol 1188.84
    methyl butyrate 1391.81

    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