Ethyl 5-hydroxydecanoate

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  • Identifiers

    CAS number
    75587-06-3

    Molecular formula
    C12H24O3

    SMILES
    CCCCCC(CCCC(=O)OCC)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 85.51%
    Sweet 60.73%
    Oily 59.24%
    Winey 46.05%
    Fatty 44.54%
    Fresh 39.15%
    Green 38.62%
    Peach 37.61%
    Floral 37.15%
    Tropical 36.12%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.86 (neutral)

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point est.
    123.82 ˚C

    Solubility expt.

    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 5-hydroxydecanoate
    • 75587-06-3
    • 5-Hydroxydecanoic acid ethyl ester
    • Decanoic acid, 5-hydroxy-, ethyl ester
    • FEMA No. 4444
    • UNII-DF7YX14403
    • (+-)-Ethyl 5-hydroxydecanoate
    • DF7YX14403
    • Ethyl 5-hydroxydecanoate, (+-)-
    • DTXSID60997023
    • (+/-)-ETHYL 5-HYDROXYDECANOATE
    • ETHYL 5-HYDROXYDECANOATE, (+/-)-
    • ethyl-5-hydroxydecanoate
    • SCHEMBL8624262
    • JZHPHZPSKLWKPM-UHFFFAOYSA-N
    • DTXCID001424033
    • AKOS015951103
    • Q27276367
    • 639-142-9

  • Applications

    Ethyl 5-hydroxydecanoate (CAS 75587-06-3) is a long-chain ester bearing a hydroxyl group that increases polarity; therefore, it is widely employed as a synthetic intermediate in pharmaceutical chemistry to build lipid-based prodrugs, as a flavor and fragrance modifier that imparts a smooth, fatty nuance stable at neutral pH, and as an emollient in skin-care formulations where it helps restructure epidermal lipids; in analytical and academic research it serves as a reference standard in reverse-phase chromatography and as a model molecule for studying hydroxylated fatty-acid ester interactions with carrier proteins.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5644.16
    methanol 9177.64
    isopropanol 4011.16
    water 0.66
    ethyl acetate 3138.24
    n-propanol 3548.06
    acetone 6911.96
    n-butanol 2604.76
    acetonitrile 2930.18
    DMF 4404.14
    toluene 506.89
    isobutanol 2284.87
    1,4-dioxane 3329.2
    methyl acetate 1962.04
    THF 5753.56
    2-butanone 2758.42
    n-pentanol 1645.58
    sec-butanol 2377.33
    n-hexane 161.67
    ethylene glycol 414.0
    NMP 2947.06
    cyclohexane 230.99
    DMSO 7666.49
    n-butyl acetate 1697.22
    n-octanol 449.86
    chloroform 2876.37
    n-propyl acetate 1775.8
    acetic acid 3959.03
    dichloromethane 3074.2
    cyclohexanone 3757.03
    propylene glycol 775.42
    isopropyl acetate 1891.31
    DMAc 2388.48
    2-ethoxyethanol 2154.55
    isopentanol 1999.23
    n-heptane 56.21
    ethyl formate 1509.37
    1,2-dichloroethane 2315.81
    n-hexanol 1113.86
    2-methoxyethanol 3977.4
    isobutyl acetate 983.1
    tetrachloromethane 337.84
    n-pentyl acetate 964.81
    transcutol 6514.34
    n-heptanol 393.69
    ethylbenzene 285.87
    MIBK 1435.28
    2-propoxyethanol 1809.76
    tert-butanol 3668.51
    MTBE 2517.09
    2-butoxyethanol 903.91
    propionic acid 2127.77
    o-xylene 328.64
    formic acid 1048.73
    diethyl ether 2952.06
    m-xylene 363.28
    p-xylene 383.74
    chlorobenzene 895.71
    dimethyl carbonate 472.06
    n-octane 25.08
    formamide 1604.11
    cyclopentanone 3906.14
    2-pentanone 2880.2
    anisole 693.24
    cyclopentyl methyl ether 2251.43
    gamma-butyrolactone 3975.58
    1-methoxy-2-propanol 2798.98
    pyridine 2027.21
    3-pentanone 1357.38
    furfural 2319.58
    n-dodecane 20.39
    diethylene glycol 1157.93
    diisopropyl ether 539.51
    tert-amyl alcohol 2280.73
    acetylacetone 2765.35
    n-hexadecane 24.26
    acetophenone 722.08
    methyl propionate 1696.17
    isopentyl acetate 1345.21
    trichloroethylene 3615.41
    n-nonanol 363.59
    cyclohexanol 2012.43
    benzyl alcohol 678.89
    2-ethylhexanol 567.06
    isooctanol 326.16
    dipropyl ether 790.33
    1,2-dichlorobenzene 758.78
    ethyl lactate 525.27
    propylene carbonate 1765.34
    n-methylformamide 2371.39
    2-pentanol 1640.84
    n-pentane 110.02
    1-propoxy-2-propanol 1394.95
    1-methoxy-2-propyl acetate 1330.31
    2-(2-methoxypropoxy) propanol 773.33
    mesitylene 235.72
    ε-caprolactone 2854.95
    p-cymene 167.49
    epichlorohydrin 3629.98
    1,1,1-trichloroethane 1621.23
    2-aminoethanol 1294.65
    morpholine-4-carbaldehyde 2672.67
    sulfolane 4239.24
    2,2,4-trimethylpentane 65.47
    2-methyltetrahydrofuran 3633.1
    n-hexyl acetate 1205.16
    isooctane 51.65
    2-(2-butoxyethoxy)ethanol 1292.34
    sec-butyl acetate 1034.58
    tert-butyl acetate 1753.74
    decalin 99.4
    glycerin 916.98
    diglyme 2369.4
    acrylic acid 1406.05
    isopropyl myristate 324.62
    n-butyric acid 3543.83
    acetyl acetate 1469.41
    di(2-ethylhexyl) phthalate 300.32
    ethyl propionate 1182.09
    nitromethane 5828.25
    1,2-diethoxyethane 1761.51
    benzonitrile 1021.33
    trioctyl phosphate 224.09
    1-bromopropane 1372.2
    gamma-valerolactone 4311.94
    n-decanol 235.11
    triethyl phosphate 329.95
    4-methyl-2-pentanol 665.69
    propionitrile 1737.28
    vinylene carbonate 1414.45
    1,1,2-trichlorotrifluoroethane 2127.06
    DMS 761.36
    cumene 186.5
    2-octanol 307.62
    2-hexanone 1676.55
    octyl acetate 414.49
    limonene 328.48
    1,2-dimethoxyethane 3324.43
    ethyl orthosilicate 336.64
    tributyl phosphate 344.08
    diacetone alcohol 1695.91
    N,N-dimethylaniline 425.88
    acrylonitrile 1799.74
    aniline 966.1
    1,3-propanediol 2031.51
    bromobenzene 903.96
    dibromomethane 2050.81
    1,1,2,2-tetrachloroethane 2878.55
    2-methyl-cyclohexyl acetate 610.4
    tetrabutyl urea 414.96
    diisobutyl methanol 291.79
    2-phenylethanol 588.23
    styrene 411.0
    dioctyl adipate 544.31
    dimethyl sulfate 860.9
    ethyl butyrate 949.97
    methyl lactate 702.96
    butyl lactate 746.87
    diethyl carbonate 520.49
    propanediol butyl ether 998.94
    triethyl orthoformate 584.33
    p-tert-butyltoluene 164.0
    methyl 4-tert-butylbenzoate 595.83
    morpholine 4787.7
    tert-butylamine 1775.39
    n-dodecanol 164.87
    dimethoxymethane 2253.5
    ethylene carbonate 1417.71
    cyrene 662.94
    2-ethoxyethyl acetate 1218.28
    2-ethylhexyl acetate 917.43
    1,2,4-trichlorobenzene 863.15
    4-methylpyridine 2109.85
    dibutyl ether 795.33
    2,6-dimethyl-4-heptanol 291.79
    DEF 2481.61
    dimethyl isosorbide 1227.97
    tetrachloroethylene 1830.24
    eugenol 556.02
    triacetin 1043.72
    span 80 767.35
    1,4-butanediol 697.85
    1,1-dichloroethane 2242.37
    2-methyl-1-pentanol 1128.37
    methyl formate 1363.61
    2-methyl-1-butanol 1686.68
    n-decane 42.37
    butyronitrile 2198.44
    3,7-dimethyl-1-octanol 460.0
    1-chlorooctane 267.8
    1-chlorotetradecane 77.88
    n-nonane 41.99
    undecane 27.42
    tert-butylcyclohexane 86.89
    cyclooctane 51.56
    cyclopentanol 2201.49
    tetrahydropyran 4254.16
    tert-amyl methyl ether 1298.65
    2,5,8-trioxanonane 1388.42
    1-hexene 790.35
    2-isopropoxyethanol 1359.31
    2,2,2-trifluoroethanol 765.04
    methyl butyrate 1846.5

    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