Ethyl 2-hydroxyisobutyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    80-55-7

    Molecular formula
    C6H12O3

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 89.68%
    Caramellic 58.89%
    Buttery 54.63%
    Sweet 45.12%
    Ethereal 41.41%
    Nutty 41.32%
    Creamy 39.06%
    Winey 32.16%
    Milky 31.57%
    Rummy 31.02%

     

    Flavor
    Fruity 84.86%
    Sweet 59.53%
    Bitter 43.85%
    Fruit 38.8%
    Tropical 36.48%
    Green 33.56%
    Apple 33.46%
    Pineapple 32.25%
    Creamy 31.24%
    Banana 29.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.92 (weak base)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    142°C

    Flash point

    • 48.94 ˚C est.

  • Synonyms

    • Ethyl 2-hydroxyisobutyrate
    • 80-55-7
    • Ethyl 2-hydroxy-2-methylpropanoate
    • Ethyl 2-hydroxy-2-methylpropionate
    • Ethyl 2-methyllactate
    • Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester
    • Ethyl alpha-hydroxyisobutyrate
    • 2-Methyllactic acid ethyl ester
    • LACTIC ACID, 2-METHYL-, ETHYL ESTER
    • 2-Hydroxyisobutyric Acid Ethyl Ester
    • Ethyl .alpha.-hydroxyisobutyrate
    • NSC 4667
    • EINECS 201-290-3
    • UNII-S1530MCV3X
    • BRN 0878308
    • S1530MCV3X
    • AI3-09122
    • NSC-4667
    • MFCD00004458
    • Ethyl 2-hydroxyisobutanoate
    • DTXSID4073885
    • 4-03-00-00783 (Beilstein Handbook Reference)
    • ETHYL 2-METHYL-2-HYDROXYPROPANOATE
    • 2-hydroxy-2-methylpropionic acid ethyl ester
    • 2-hydroxy-2-methyl-propionic acid ethyl ester
    • 2-HYDROXY-2-METHYLPROPANOIC ACID ETHYL ESTER
    • Ethyl-2-hydroxyisobutyrate
    • ethyl 2-hydroxy-2-methyl-propanoate
    • ethyl-alpha-hydroxyisobutyrate
    • SCHEMBL122175
    • ethyl alpha-hydroxy-isobutyrate
    • Ethyl alpha -hydroxyisobutyrate
    • alpha (or beta) - Hydroxyisobutyric acid, ethyl ester
    • DTXCID7048166
    • NSC4667
    • STR06913
    • Ethyl alpha-hydroxyisobutyrate, 98%
    • AKOS005255144
    • Ethyl 2-hydroxy-2-methylpropanoate #
    • DB-056447
    • H0255
    • NS00038076
    • D90826
    • EN300-105389
    • Q27288428
    • Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester (9CI)

  • Applications

    Ethyl 2-hydroxyisobutyrate (CAS 80-55-7) is used primarily as an intermediate in chemical synthesis, providing a versatile building block for the preparation of hydroxy ester derivatives and related compounds; in the fragrance and flavor industry it can function as a fragrance ingredient or odorant; in cosmetics and personal care it is employed as a fragrance component or processing aid; in industrial manufacturing it serves as a solvent or processing aid in coatings, inks, and cleaning formulations; and it is commonly evaluated as a precursor in pharmaceutical and agrochemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1134.06
    methanol 2099.93
    isopropanol 1042.5
    water 64.53
    ethyl acetate 599.76
    n-propanol 989.59
    acetone 1093.67
    n-butanol 847.31
    acetonitrile 822.24
    DMF 1649.92
    toluene 230.61
    isobutanol 776.32
    1,4-dioxane 1180.23
    methyl acetate 668.08
    THF 1089.97
    2-butanone 753.11
    n-pentanol 643.75
    sec-butanol 1031.0
    n-hexane 182.71
    ethylene glycol 530.23
    NMP 981.88
    cyclohexane 191.02
    DMSO 1235.92
    n-butyl acetate 436.64
    n-octanol 411.87
    chloroform 1344.11
    n-propyl acetate 440.58
    acetic acid 1175.2
    dichloromethane 1186.45
    cyclohexanone 903.72
    propylene glycol 555.52
    isopropyl acetate 396.28
    DMAc 1204.45
    2-ethoxyethanol 971.54
    isopentanol 700.04
    n-heptane 94.09
    ethyl formate 589.4
    1,2-dichloroethane 744.65
    n-hexanol 590.3
    2-methoxyethanol 1486.83
    isobutyl acetate 276.06
    tetrachloromethane 302.14
    n-pentyl acetate 308.96
    transcutol 1140.49
    n-heptanol 318.62
    ethylbenzene 209.99
    MIBK 445.93
    2-propoxyethanol 876.31
    tert-butanol 1413.18
    MTBE 960.59
    2-butoxyethanol 466.48
    propionic acid 704.46
    o-xylene 249.16
    formic acid 709.29
    diethyl ether 752.37
    m-xylene 210.71
    p-xylene 305.31
    chlorobenzene 335.22
    dimethyl carbonate 257.93
    n-octane 52.95
    formamide 581.11
    cyclopentanone 896.3
    2-pentanone 653.58
    anisole 409.38
    cyclopentyl methyl ether 585.76
    gamma-butyrolactone 978.43
    1-methoxy-2-propanol 1000.8
    pyridine 497.02
    3-pentanone 537.67
    furfural 825.48
    n-dodecane 45.22
    diethylene glycol 733.67
    diisopropyl ether 271.4
    tert-amyl alcohol 1219.37
    acetylacetone 667.03
    n-hexadecane 48.75
    acetophenone 436.96
    methyl propionate 509.06
    isopentyl acetate 403.05
    trichloroethylene 1242.24
    n-nonanol 318.84
    cyclohexanol 753.24
    benzyl alcohol 400.47
    2-ethylhexanol 341.17
    isooctanol 263.83
    dipropyl ether 321.15
    1,2-dichlorobenzene 379.35
    ethyl lactate 295.54
    propylene carbonate 568.18
    n-methylformamide 850.48
    2-pentanol 674.22
    n-pentane 165.39
    1-propoxy-2-propanol 550.0
    1-methoxy-2-propyl acetate 397.47
    2-(2-methoxypropoxy) propanol 377.75
    mesitylene 168.43
    ε-caprolactone 732.97
    p-cymene 156.98
    epichlorohydrin 901.91
    1,1,1-trichloroethane 784.6
    2-aminoethanol 702.61
    morpholine-4-carbaldehyde 1060.18
    sulfolane 1133.74
    2,2,4-trimethylpentane 119.42
    2-methyltetrahydrofuran 890.31
    n-hexyl acetate 503.38
    isooctane 78.29
    2-(2-butoxyethoxy)ethanol 504.15
    sec-butyl acetate 304.18
    tert-butyl acetate 522.21
    decalin 101.01
    glycerin 736.63
    diglyme 922.32
    acrylic acid 616.6
    isopropyl myristate 190.57
    n-butyric acid 847.25
    acetyl acetate 397.83
    di(2-ethylhexyl) phthalate 184.22
    ethyl propionate 399.19
    nitromethane 1379.83
    1,2-diethoxyethane 445.59
    benzonitrile 426.54
    trioctyl phosphate 167.72
    1-bromopropane 527.25
    gamma-valerolactone 1107.19
    n-decanol 227.34
    triethyl phosphate 195.65
    4-methyl-2-pentanol 382.94
    propionitrile 615.07
    vinylene carbonate 583.76
    1,1,2-trichlorotrifluoroethane 845.4
    DMS 343.78
    cumene 180.47
    2-octanol 287.96
    2-hexanone 492.32
    octyl acetate 253.15
    limonene 234.81
    1,2-dimethoxyethane 1269.77
    ethyl orthosilicate 193.75
    tributyl phosphate 193.02
    diacetone alcohol 611.08
    N,N-dimethylaniline 369.22
    acrylonitrile 722.66
    aniline 336.05
    1,3-propanediol 873.7
    bromobenzene 334.92
    dibromomethane 860.78
    1,1,2,2-tetrachloroethane 1143.07
    2-methyl-cyclohexyl acetate 278.17
    tetrabutyl urea 235.64
    diisobutyl methanol 228.76
    2-phenylethanol 321.04
    styrene 220.18
    dioctyl adipate 245.22
    dimethyl sulfate 467.52
    ethyl butyrate 325.36
    methyl lactate 359.66
    butyl lactate 278.64
    diethyl carbonate 234.54
    propanediol butyl ether 511.82
    triethyl orthoformate 247.28
    p-tert-butyltoluene 167.71
    methyl 4-tert-butylbenzoate 379.88
    morpholine 1113.8
    tert-butylamine 904.61
    n-dodecanol 175.05
    dimethoxymethane 871.95
    ethylene carbonate 499.46
    cyrene 392.79
    2-ethoxyethyl acetate 350.43
    2-ethylhexyl acetate 313.61
    1,2,4-trichlorobenzene 439.6
    4-methylpyridine 606.23
    dibutyl ether 292.78
    2,6-dimethyl-4-heptanol 228.76
    DEF 831.11
    dimethyl isosorbide 526.57
    tetrachloroethylene 861.77
    eugenol 362.95
    triacetin 393.29
    span 80 333.79
    1,4-butanediol 508.49
    1,1-dichloroethane 814.3
    2-methyl-1-pentanol 561.2
    methyl formate 747.73
    2-methyl-1-butanol 708.22
    n-decane 73.33
    butyronitrile 637.79
    3,7-dimethyl-1-octanol 337.76
    1-chlorooctane 228.2
    1-chlorotetradecane 96.47
    n-nonane 79.13
    undecane 55.07
    tert-butylcyclohexane 116.9
    cyclooctane 73.54
    cyclopentanol 701.16
    tetrahydropyran 922.35
    tert-amyl methyl ether 744.57
    2,5,8-trioxanonane 584.36
    1-hexene 372.31
    2-isopropoxyethanol 635.04
    2,2,2-trifluoroethanol 450.61
    methyl butyrate 583.94

    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