Ethyl 4-hydroxybutanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    999-10-0

    Molecular formula
    C6H12O3

    SMILES
    CCOC(=O)CCCO

  • Odor profile

    Fragrance
    Fruity 61.31%
    Ethereal 45.79%
    Caramellic 44.97%
    Winey 42.44%
    Sweet 35.31%
    Buttery 30.85%
    Oily 30.73%
    Alcoholic 30.68%
    Fermented 29.44%
    Solvent 27.16%

     

    Flavor
    Fruity 77.33%
    Sweet 57.95%
    Pineapple 52.72%
    Fruit 52.64%
    Green 39.81%
    Bitter 38.31%
    Grape 38.25%
    Apple 37.31%
    Tropical 35.91%
    Wine 35.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    8.58 (weak base)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    213°C

    Flash point

    • 88.13 ˚C est.

  • Synonyms

    • ethyl 4-hydroxybutanoate
    • 999-10-0
    • 4-hydroxy-butyric acid ethyl ester
    • C6H12O3
    • ethyl 4-hydroxybutyrate
    • Butanoic acid, 4-hydroxy-, ethyl ester
    • MFCD09926765
    • NSC617295
    • SCHEMBL6736
    • CHEMBL1964670
    • DTXSID20326810
    • 4-hydroxy-butanoic acid ethyl ester
    • AKOS006312240
    • AS-6427
    • Butanoic acid, 4-hydroxy, ethyl ester
    • NSC-617295
    • NCI60_005207
    • SY263197
    • C91677
    • EN300-135722
    • B0001-101464

  • Applications

    Ethyl 4-hydroxybutanoate (CAS 999-10-0) is commonly used as a reactive intermediate in pharmaceutical and fine-chemical synthesis, enabling access to gamma-hydroxybutanoate derivatives and related actives. It serves as a building block for the preparation of specialty esters and as a precursor in polymer and materials chemistry, including routes to polyesters and crosslinkable systems. In industrial manufacturing, it can function as a solvent or processing aid for coatings, inks, and cleaning formulations due to its ester and hydroxyl functionality. It may also be evaluated for cosmetics and fragrance applications as a fragrance-related intermediate, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2143.56
    methanol 4373.99
    isopropanol 1423.18
    water 88.8
    ethyl acetate 526.13
    n-propanol 1314.45
    acetone 1676.94
    n-butanol 959.6
    acetonitrile 2009.65
    DMF 2923.81
    toluene 123.8
    isobutanol 832.58
    1,4-dioxane 1272.49
    methyl acetate 717.75
    THF 1212.64
    2-butanone 793.29
    n-pentanol 634.55
    sec-butanol 984.34
    n-hexane 53.89
    ethylene glycol 802.77
    NMP 1649.39
    cyclohexane 68.44
    DMSO 3739.55
    n-butyl acetate 340.14
    n-octanol 215.02
    chloroform 1027.58
    n-propyl acetate 374.32
    acetic acid 3052.94
    dichloromethane 1480.36
    cyclohexanone 894.98
    propylene glycol 669.93
    isopropyl acetate 251.62
    DMAc 1761.76
    2-ethoxyethanol 1131.21
    isopentanol 643.09
    n-heptane 28.82
    ethyl formate 743.65
    1,2-dichloroethane 861.24
    n-hexanol 350.92
    2-methoxyethanol 1999.49
    isobutyl acetate 185.27
    tetrachloromethane 137.12
    n-pentyl acetate 219.44
    transcutol 1640.85
    n-heptanol 153.6
    ethylbenzene 109.22
    MIBK 255.97
    2-propoxyethanol 641.13
    tert-butanol 1307.16
    MTBE 593.97
    2-butoxyethanol 341.54
    propionic acid 1228.75
    o-xylene 122.43
    formic acid 1899.03
    diethyl ether 508.93
    m-xylene 99.11
    p-xylene 169.54
    chlorobenzene 319.31
    dimethyl carbonate 195.49
    n-octane 14.2
    formamide 2059.09
    cyclopentanone 1071.2
    2-pentanone 509.61
    anisole 352.01
    cyclopentyl methyl ether 412.04
    gamma-butyrolactone 1366.9
    1-methoxy-2-propanol 954.1
    pyridine 846.98
    3-pentanone 333.25
    furfural 1300.19
    n-dodecane 14.24
    diethylene glycol 655.11
    diisopropyl ether 90.45
    tert-amyl alcohol 975.12
    acetylacetone 522.83
    n-hexadecane 15.59
    acetophenone 351.4
    methyl propionate 437.61
    isopentyl acetate 269.75
    trichloroethylene 1247.13
    n-nonanol 167.03
    cyclohexanol 618.48
    benzyl alcohol 415.19
    2-ethylhexanol 192.26
    isooctanol 131.09
    dipropyl ether 177.95
    1,2-dichlorobenzene 309.64
    ethyl lactate 209.71
    propylene carbonate 627.43
    n-methylformamide 1863.94
    2-pentanol 478.05
    n-pentane 53.51
    1-propoxy-2-propanol 394.8
    1-methoxy-2-propyl acetate 243.84
    2-(2-methoxypropoxy) propanol 332.08
    mesitylene 69.63
    ε-caprolactone 746.6
    p-cymene 75.08
    epichlorohydrin 1172.56
    1,1,1-trichloroethane 441.65
    2-aminoethanol 1276.83
    morpholine-4-carbaldehyde 1363.72
    sulfolane 1614.02
    2,2,4-trimethylpentane 33.1
    2-methyltetrahydrofuran 846.61
    n-hexyl acetate 336.3
    isooctane 18.77
    2-(2-butoxyethoxy)ethanol 468.94
    sec-butyl acetate 187.22
    tert-butyl acetate 257.9
    decalin 38.07
    glycerin 923.17
    diglyme 837.37
    acrylic acid 1166.46
    isopropyl myristate 108.08
    n-butyric acid 1097.91
    acetyl acetate 336.72
    di(2-ethylhexyl) phthalate 137.24
    ethyl propionate 282.08
    nitromethane 3280.82
    1,2-diethoxyethane 387.11
    benzonitrile 582.26
    trioctyl phosphate 99.8
    1-bromopropane 414.44
    gamma-valerolactone 1318.98
    n-decanol 117.77
    triethyl phosphate 129.3
    4-methyl-2-pentanol 205.39
    propionitrile 959.09
    vinylene carbonate 656.44
    1,1,2-trichlorotrifluoroethane 1022.6
    DMS 239.27
    cumene 87.83
    2-octanol 125.54
    2-hexanone 391.12
    octyl acetate 149.12
    limonene 115.53
    1,2-dimethoxyethane 1453.44
    ethyl orthosilicate 118.71
    tributyl phosphate 138.39
    diacetone alcohol 387.48
    N,N-dimethylaniline 251.18
    acrylonitrile 1276.98
    aniline 379.65
    1,3-propanediol 1311.1
    bromobenzene 279.06
    dibromomethane 806.51
    1,1,2,2-tetrachloroethane 966.14
    2-methyl-cyclohexyl acetate 187.01
    tetrabutyl urea 187.34
    diisobutyl methanol 106.79
    2-phenylethanol 243.78
    styrene 166.12
    dioctyl adipate 197.54
    dimethyl sulfate 436.45
    ethyl butyrate 239.46
    methyl lactate 322.41
    butyl lactate 222.58
    diethyl carbonate 182.1
    propanediol butyl ether 413.14
    triethyl orthoformate 163.4
    p-tert-butyltoluene 65.49
    methyl 4-tert-butylbenzoate 249.65
    morpholine 1516.4
    tert-butylamine 744.23
    n-dodecanol 86.45
    dimethoxymethane 799.01
    ethylene carbonate 527.07
    cyrene 345.47
    2-ethoxyethyl acetate 289.45
    2-ethylhexyl acetate 196.96
    1,2,4-trichlorobenzene 363.14
    4-methylpyridine 828.76
    dibutyl ether 200.08
    2,6-dimethyl-4-heptanol 106.79
    DEF 840.88
    dimethyl isosorbide 441.91
    tetrachloroethylene 680.07
    eugenol 278.09
    triacetin 317.17
    span 80 292.73
    1,4-butanediol 581.68
    1,1-dichloroethane 684.15
    2-methyl-1-pentanol 485.12
    methyl formate 1146.5
    2-methyl-1-butanol 670.71
    n-decane 23.41
    butyronitrile 945.8
    3,7-dimethyl-1-octanol 203.07
    1-chlorooctane 99.05
    1-chlorotetradecane 40.12
    n-nonane 23.19
    undecane 17.25
    tert-butylcyclohexane 35.87
    cyclooctane 17.87
    cyclopentanol 793.66
    tetrahydropyran 861.46
    tert-amyl methyl ether 389.26
    2,5,8-trioxanonane 576.78
    1-hexene 214.97
    2-isopropoxyethanol 555.93
    2,2,2-trifluoroethanol 761.94
    methyl butyrate 498.48

    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