Ethyl 4-hydroxyhexanoate

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  • Identifiers

    CAS number
    101853-50-3

    Molecular formula
    C8H16O3

    SMILES
    CCC(CCC(=O)OCC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.03%
    Sweet 43.61%
    Winey 38.54%
    Caramellic 38.54%
    Buttery 38.39%
    Oily 36.14%
    Fatty 31.39%
    Pineapple 27.46%
    Tropical 26.95%
    Ethereal 26.56%

     

    Flavor
    Fruity 81.87%
    Sweet 48.71%
    Pineapple 48.3%
    Tropical 43.79%
    Fruit 40.36%
    Grape 36.05%
    Berry 34.82%
    Bitter 30.06%
    Ripe 29.34%
    Wine 29.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.73 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    220°C

    Flash point

    • 93.53 ˚C est.

  • Synonyms

    • ethyl 4-hydroxyhexanoate
    • 101853-50-3
    • SCHEMBL6344872
    • WSZGBHSBZUYPBO-UHFFFAOYSA-N
    • AKOS010914935
    • CS-0296453
    • EN300-1296923
    • 101853-50-3

  • Applications

    Ethyl 4-hydroxyhexanoate (CAS 101853-50-3) is widely used as a fragrance ingredient and odorant in perfumery and flavor applications, contributing to aroma notes in consumer products. In cosmetics and personal care, it is employed as a fragrance component. It also serves as an intermediate in organic synthesis, providing a building block for other esters and specialty chemicals. In industrial manufacturing, coatings and inks may incorporate it as a fragrance-bearing additive or precursor to related materials, depending on formulation. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2260.32
    methanol 3764.49
    isopropanol 1464.61
    water 19.96
    ethyl acetate 683.34
    n-propanol 1219.03
    acetone 1336.0
    n-butanol 1012.66
    acetonitrile 1066.12
    DMF 1972.54
    toluene 155.86
    isobutanol 819.0
    1,4-dioxane 1418.51
    methyl acetate 666.17
    THF 1521.62
    2-butanone 679.73
    n-pentanol 652.91
    sec-butanol 921.84
    n-hexane 33.23
    ethylene glycol 495.52
    NMP 1204.0
    cyclohexane 47.04
    DMSO 2211.56
    n-butyl acetate 432.61
    n-octanol 167.89
    chloroform 922.3
    n-propyl acetate 369.1
    acetic acid 2338.13
    dichloromethane 949.08
    cyclohexanone 868.68
    propylene glycol 511.83
    isopropyl acetate 396.12
    DMAc 1525.36
    2-ethoxyethanol 1118.91
    isopentanol 778.66
    n-heptane 14.44
    ethyl formate 664.02
    1,2-dichloroethane 610.37
    n-hexanol 396.67
    2-methoxyethanol 2015.9
    isobutyl acetate 243.81
    tetrachloromethane 134.11
    n-pentyl acetate 225.93
    transcutol 2056.07
    n-heptanol 151.57
    ethylbenzene 107.31
    MIBK 310.84
    2-propoxyethanol 744.43
    tert-butanol 1538.56
    MTBE 743.33
    2-butoxyethanol 366.67
    propionic acid 938.88
    o-xylene 131.93
    formic acid 1238.57
    diethyl ether 541.09
    m-xylene 121.85
    p-xylene 159.95
    chlorobenzene 291.63
    dimethyl carbonate 171.41
    n-octane 8.1
    formamide 1340.39
    cyclopentanone 991.26
    2-pentanone 548.57
    anisole 330.14
    cyclopentyl methyl ether 503.98
    gamma-butyrolactone 1171.79
    1-methoxy-2-propanol 1035.56
    pyridine 787.62
    3-pentanone 295.77
    furfural 1083.76
    n-dodecane 8.97
    diethylene glycol 718.98
    diisopropyl ether 111.11
    tert-amyl alcohol 1019.87
    acetylacetone 651.34
    n-hexadecane 9.97
    acetophenone 326.01
    methyl propionate 415.23
    isopentyl acetate 386.55
    trichloroethylene 1048.93
    n-nonanol 142.22
    cyclohexanol 632.58
    benzyl alcohol 368.02
    2-ethylhexanol 197.94
    isooctanol 122.75
    dipropyl ether 152.46
    1,2-dichlorobenzene 264.98
    ethyl lactate 184.31
    propylene carbonate 589.9
    n-methylformamide 1135.59
    2-pentanol 517.95
    n-pentane 30.73
    1-propoxy-2-propanol 421.79
    1-methoxy-2-propyl acetate 363.34
    2-(2-methoxypropoxy) propanol 364.69
    mesitylene 74.29
    ε-caprolactone 829.73
    p-cymene 65.34
    epichlorohydrin 1122.8
    1,1,1-trichloroethane 443.68
    2-aminoethanol 975.49
    morpholine-4-carbaldehyde 1281.52
    sulfolane 1194.7
    2,2,4-trimethylpentane 24.47
    2-methyltetrahydrofuran 966.22
    n-hexyl acetate 323.11
    isooctane 15.48
    2-(2-butoxyethoxy)ethanol 526.61
    sec-butyl acetate 249.21
    tert-butyl acetate 397.79
    decalin 32.19
    glycerin 675.21
    diglyme 914.92
    acrylic acid 753.63
    isopropyl myristate 104.13
    n-butyric acid 1194.61
    acetyl acetate 457.76
    di(2-ethylhexyl) phthalate 130.68
    ethyl propionate 272.91
    nitromethane 2415.5
    1,2-diethoxyethane 462.85
    benzonitrile 432.26
    trioctyl phosphate 87.31
    1-bromopropane 316.42
    gamma-valerolactone 1409.15
    n-decanol 96.79
    triethyl phosphate 120.27
    4-methyl-2-pentanol 244.34
    propionitrile 630.11
    vinylene carbonate 563.65
    1,1,2-trichlorotrifluoroethane 970.63
    DMS 243.09
    cumene 78.95
    2-octanol 107.56
    2-hexanone 365.34
    octyl acetate 135.38
    limonene 103.41
    1,2-dimethoxyethane 1368.1
    ethyl orthosilicate 120.41
    tributyl phosphate 128.18
    diacetone alcohol 525.82
    N,N-dimethylaniline 219.75
    acrylonitrile 776.45
    aniline 388.65
    1,3-propanediol 1239.75
    bromobenzene 257.16
    dibromomethane 540.74
    1,1,2,2-tetrachloroethane 899.26
    2-methyl-cyclohexyl acetate 197.84
    tetrabutyl urea 158.14
    diisobutyl methanol 105.53
    2-phenylethanol 273.76
    styrene 156.99
    dioctyl adipate 188.19
    dimethyl sulfate 324.47
    ethyl butyrate 244.87
    methyl lactate 267.8
    butyl lactate 211.26
    diethyl carbonate 178.57
    propanediol butyl ether 397.46
    triethyl orthoformate 177.72
    p-tert-butyltoluene 63.89
    methyl 4-tert-butylbenzoate 232.91
    morpholine 1817.91
    tert-butylamine 779.35
    n-dodecanol 70.79
    dimethoxymethane 696.97
    ethylene carbonate 498.93
    cyrene 329.31
    2-ethoxyethyl acetate 348.72
    2-ethylhexyl acetate 271.17
    1,2,4-trichlorobenzene 324.3
    4-methylpyridine 774.17
    dibutyl ether 173.81
    2,6-dimethyl-4-heptanol 105.53
    DEF 740.86
    dimethyl isosorbide 500.3
    tetrachloroethylene 635.97
    eugenol 255.08
    triacetin 315.94
    span 80 303.23
    1,4-butanediol 487.55
    1,1-dichloroethane 583.31
    2-methyl-1-pentanol 528.04
    methyl formate 714.64
    2-methyl-1-butanol 682.71
    n-decane 14.73
    butyronitrile 734.6
    3,7-dimethyl-1-octanol 178.54
    1-chlorooctane 76.6
    1-chlorotetradecane 29.01
    n-nonane 13.42
    undecane 10.89
    tert-butylcyclohexane 30.29
    cyclooctane 11.58
    cyclopentanol 753.73
    tetrahydropyran 967.55
    tert-amyl methyl ether 441.99
    2,5,8-trioxanonane 616.01
    1-hexene 171.0
    2-isopropoxyethanol 607.53
    2,2,2-trifluoroethanol 562.47
    methyl butyrate 465.16

    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