Ethyl 3-hydroxy-3-methylbutyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18267-36-2

    Molecular formula
    C7H14O3

    SMILES
    CCOC(=O)CC(C)(C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 94.15%
    Fresh 52.55%
    Apple 50.33%
    Green 45.2%
    Sweet 38.47%
    Ethereal 37.28%
    Winey 35.2%
    Grape 31.93%
    Tropical 31.21%
    Banana 30.93%

     

    Flavor
    Fruity 79.11%
    Sweet 56.96%
    Bitter 47.37%
    Green 45.57%
    Tropical 42.02%
    Banana 39.48%
    Fruit 39.46%
    Pineapple 38.97%
    Apple 36.04%
    Citrus 34.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.62 (weak base)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    179°C

    Flash point

    • 72.43 ˚C est.

  • Synonyms

    • Ethyl 3-hydroxy-3-methylbutanoate
    • 18267-36-2
    • Ethyl 3-hydroxy-3-methylbutyrate
    • EINECS 242-147-5
    • DTXSID70171317
    • RefChem:594975
    • DTXCID9093808
    • 242-147-5
    • Butanoic acid, 3-hydroxy-3-methyl-, ethyl ester
    • MFCD16749012
    • Ethyl3-hydroxy-3-methylbutanoate
    • (CH3)2C(OH)CH2C(O)OC2H5
    • Ethyl 3-Hydroxy-3-Methyl-d3-butyrate--d3
    • Ethyl -hydroxyisovalerate
    • SCHEMBL927785
    • orb3021429
    • SCHEMBL2721071
    • ethyl 3-hydroxy-3-methyl-butanoate
    • Ethyl 3-methyl 3-hydroxy-butanoate
    • AKOS008151895
    • DS-17293
    • SY116628
    • DB-342964
    • CS-0061614
    • NS00026015
    • EN300-95759
    • O11777
    • F231391
    • Z982131236
    • 18267-36-2

  • Applications

    Ethyl 3-hydroxy-3-methylbutyrate (CAS 18267-36-2) is primarily used as an aroma/flavor compound and may be considered for flavor applications in foods; in cosmetics and personal care, it acts as a fragrance ingredient adding fruity notes to perfumes, lotions, and other products; in household and cleaning products it may appear as an aroma component providing a pleasant scent; in industrial manufacturing it is often a precursor or intermediate for the synthesis of more complex aroma esters and related compounds. Depending on local regulations and formulation limits, it may be used as an intermediate in fragrance and flavor synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 583.02
    methanol 1178.89
    isopropanol 506.76
    water 130.26
    ethyl acetate 183.0
    n-propanol 407.39
    acetone 378.86
    n-butanol 318.81
    acetonitrile 260.79
    DMF 865.49
    toluene 57.54
    isobutanol 278.21
    1,4-dioxane 505.19
    methyl acetate 228.2
    THF 680.55
    2-butanone 186.47
    n-pentanol 187.27
    sec-butanol 350.77
    n-hexane 45.28
    ethylene glycol 466.71
    NMP 680.23
    cyclohexane 67.83
    DMSO 406.1
    n-butyl acetate 98.42
    n-octanol 209.16
    chloroform 419.25
    n-propyl acetate 104.75
    acetic acid 878.52
    dichloromethane 255.06
    cyclohexanone 313.92
    propylene glycol 665.8
    isopropyl acetate 124.84
    DMAc 666.08
    2-ethoxyethanol 286.37
    isopentanol 202.66
    n-heptane 35.47
    ethyl formate 205.49
    1,2-dichloroethane 121.03
    n-hexanol 287.42
    2-methoxyethanol 779.99
    isobutyl acetate 76.78
    tetrachloromethane 63.55
    n-pentyl acetate 87.5
    transcutol 565.55
    n-heptanol 128.48
    ethylbenzene 51.38
    MIBK 118.48
    2-propoxyethanol 442.51
    tert-butanol 611.4
    MTBE 183.3
    2-butoxyethanol 192.95
    propionic acid 479.24
    o-xylene 71.03
    formic acid 481.63
    diethyl ether 143.48
    m-xylene 66.12
    p-xylene 72.25
    chlorobenzene 83.1
    dimethyl carbonate 151.86
    n-octane 16.58
    formamide 291.24
    cyclopentanone 354.22
    2-pentanone 157.12
    anisole 137.46
    cyclopentyl methyl ether 236.57
    gamma-butyrolactone 459.39
    1-methoxy-2-propanol 589.81
    pyridine 173.97
    3-pentanone 125.7
    furfural 415.85
    n-dodecane 19.77
    diethylene glycol 476.3
    diisopropyl ether 57.83
    tert-amyl alcohol 387.64
    acetylacetone 231.03
    n-hexadecane 20.44
    acetophenone 133.51
    methyl propionate 204.03
    isopentyl acetate 92.76
    trichloroethylene 237.35
    n-nonanol 174.21
    cyclohexanol 335.87
    benzyl alcohol 159.62
    2-ethylhexanol 125.11
    isooctanol 93.48
    dipropyl ether 109.84
    1,2-dichlorobenzene 95.44
    ethyl lactate 165.25
    propylene carbonate 313.77
    n-methylformamide 404.1
    2-pentanol 207.47
    n-pentane 44.19
    1-propoxy-2-propanol 294.45
    1-methoxy-2-propyl acetate 167.96
    2-(2-methoxypropoxy) propanol 268.27
    mesitylene 52.91
    ε-caprolactone 302.41
    p-cymene 49.15
    epichlorohydrin 300.24
    1,1,1-trichloroethane 144.73
    2-aminoethanol 595.58
    morpholine-4-carbaldehyde 661.07
    sulfolane 513.99
    2,2,4-trimethylpentane 27.19
    2-methyltetrahydrofuran 320.81
    n-hexyl acetate 198.42
    isooctane 18.81
    2-(2-butoxyethoxy)ethanol 352.44
    sec-butyl acetate 75.89
    tert-butyl acetate 150.75
    decalin 30.33
    glycerin 809.33
    diglyme 399.23
    acrylic acid 431.96
    isopropyl myristate 89.48
    n-butyric acid 400.0
    acetyl acetate 161.35
    di(2-ethylhexyl) phthalate 112.03
    ethyl propionate 125.86
    nitromethane 620.59
    1,2-diethoxyethane 119.71
    benzonitrile 144.14
    trioctyl phosphate 88.59
    1-bromopropane 81.9
    gamma-valerolactone 556.86
    n-decanol 134.61
    triethyl phosphate 78.33
    4-methyl-2-pentanol 122.47
    propionitrile 190.23
    vinylene carbonate 296.79
    1,1,2-trichlorotrifluoroethane 425.28
    DMS 164.29
    cumene 46.02
    2-octanol 105.4
    2-hexanone 105.62
    octyl acetate 128.16
    limonene 72.92
    1,2-dimethoxyethane 391.75
    ethyl orthosilicate 74.39
    tributyl phosphate 98.52
    diacetone alcohol 279.35
    N,N-dimethylaniline 120.13
    acrylonitrile 230.06
    aniline 135.02
    1,3-propanediol 505.31
    bromobenzene 61.33
    dibromomethane 166.29
    1,1,2,2-tetrachloroethane 245.03
    2-methyl-cyclohexyl acetate 112.97
    tetrabutyl urea 141.88
    diisobutyl methanol 81.09
    2-phenylethanol 154.1
    styrene 55.27
    dioctyl adipate 142.56
    dimethyl sulfate 217.41
    ethyl butyrate 97.18
    methyl lactate 291.67
    butyl lactate 135.36
    diethyl carbonate 86.6
    propanediol butyl ether 341.2
    triethyl orthoformate 89.51
    p-tert-butyltoluene 57.21
    methyl 4-tert-butylbenzoate 194.25
    morpholine 536.99
    tert-butylamine 333.21
    n-dodecanol 107.39
    dimethoxymethane 408.6
    ethylene carbonate 229.94
    cyrene 276.17
    2-ethoxyethyl acetate 116.4
    2-ethylhexyl acetate 72.17
    1,2,4-trichlorobenzene 121.28
    4-methylpyridine 190.68
    dibutyl ether 107.78
    2,6-dimethyl-4-heptanol 81.09
    DEF 259.34
    dimethyl isosorbide 354.89
    tetrachloroethylene 152.9
    eugenol 211.45
    triacetin 229.85
    span 80 315.43
    1,4-butanediol 226.39
    1,1-dichloroethane 159.67
    2-methyl-1-pentanol 137.75
    methyl formate 340.3
    2-methyl-1-butanol 212.72
    n-decane 29.88
    butyronitrile 170.16
    3,7-dimethyl-1-octanol 155.11
    1-chlorooctane 77.15
    1-chlorotetradecane 40.94
    n-nonane 28.75
    undecane 23.58
    tert-butylcyclohexane 31.38
    cyclooctane 23.63
    cyclopentanol 377.02
    tetrahydropyran 334.56
    tert-amyl methyl ether 155.02
    2,5,8-trioxanonane 389.87
    1-hexene 82.34
    2-isopropoxyethanol 191.91
    2,2,2-trifluoroethanol 288.65
    methyl butyrate 154.4

    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