Ethyl 2-hydroxy-2-methylbutyrate

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  • Identifiers

    CAS number
    77-70-3

    Molecular formula
    C7H14O3

    SMILES
    CCC(C)(C(=O)OCC)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 89.63%
    Buttery 59.79%
    Caramellic 59.73%
    Sweet 43.47%
    Nutty 41.21%
    Creamy 40.82%
    Milky 34.48%
    Winey 32.14%
    Ethereal 30.26%
    Dairy 28.6%

     

    Flavor
    Fruity 85.92%
    Sweet 46.2%
    Creamy 42.84%
    Fruit 40.42%
    Bitter 37.95%
    Tropical 35.14%
    Green 34.04%
    Berry 33.3%
    Grape 32.71%
    Mild 31.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.69 (weak base)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    161°C

    Flash point

    • 65.73 ˚C est.

    Solubility expt.

    • Sparingly soluble in water; soluble in most non-polar organic solvents
    • Sparingly soluble (in ethanol)

  • Synonyms

    • Ethyl 2-hydroxy-2-methylbutanoate
    • 77-70-3
    • Ethyl 2-hydroxy-2-methylbutyrate
    • Butanoic acid, 2-hydroxy-2-methyl-, ethyl ester
    • (+/-)-Ethyl 2-hydroxy-2-methylbutyrate
    • FGG7G355MX
    • EINECS 201-050-8
    • Butanoic acid,2-hydroxy-2-methyl-, ethyl ester
    • FEMA NO. 4268
    • DTXSID20861630
    • 2-HYDROXY-2-METHYLBUTYRIC ACID ETHYL ESTER
    • ETHYL 2-HYDROXY-2-METHYLBUTYRATE, (+/-)-
    • (+/-)-ETHYL 2-HYDROXY-2-METHYLBUTYRATE [FHFI]
    • BUTYRIC ACID, 2-HYDROXY-2-METHYL-, ETHYL ESTER
    • BUTANOIC ACID, 2-HYDROXY-2-METHYL-, ETHYL ESTER, (+/-)-
    • UNII-FGG7G355MX
    • SCHEMBL2242736
    • DTXCID20810527
    • CHEBI:168906
    • AAA07770
    • LMFA07010693
    • AKOS011495523
    • 72332-34-4
    • DB-351400
    • NS00041100
    • EN300-80165
    • G49724
    • Q27277976
    • Z965048274
    • 201-050-8

  • Applications

    Ethyl 2-hydroxy-2-methylbutyrate (CAS 77-70-3) is primarily used as an aroma chemical in perfumery and as a flavoring agent in aroma- and taste-related applications. It is commonly evaluated for cosmetics and personal care as a fragrance ingredient, and it can serve as an odorant in household products such as cleaners and air fresheners. In industrial manufacturing it can function as an intermediate in the synthesis of aroma and fragrance compounds, and it may be employed in coatings or inks as a small-molecule fragrance additive, subject to formulation compatibility and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1701.0
    methanol 2579.73
    isopropanol 1399.89
    water 33.97
    ethyl acetate 639.85
    n-propanol 1278.08
    acetone 1152.62
    n-butanol 999.67
    acetonitrile 1052.78
    DMF 1558.74
    toluene 263.24
    isobutanol 913.21
    1,4-dioxane 1872.4
    methyl acetate 808.87
    THF 1324.49
    2-butanone 876.2
    n-pentanol 886.56
    sec-butanol 1286.54
    n-hexane 121.2
    ethylene glycol 549.73
    NMP 1000.88
    cyclohexane 212.71
    DMSO 1308.73
    n-butyl acetate 561.0
    n-octanol 548.76
    chloroform 2124.26
    n-propyl acetate 535.83
    acetic acid 1331.31
    dichloromethane 1917.71
    cyclohexanone 998.59
    propylene glycol 620.09
    isopropyl acetate 395.59
    DMAc 1107.77
    2-ethoxyethanol 1276.65
    isopentanol 765.75
    n-heptane 86.1
    ethyl formate 740.26
    1,2-dichloroethane 1035.92
    n-hexanol 713.03
    2-methoxyethanol 1697.96
    isobutyl acetate 310.2
    tetrachloromethane 379.06
    n-pentyl acetate 443.41
    transcutol 1413.59
    n-heptanol 451.4
    ethylbenzene 272.98
    MIBK 389.19
    2-propoxyethanol 962.42
    tert-butanol 1593.21
    MTBE 939.42
    2-butoxyethanol 633.74
    propionic acid 835.75
    o-xylene 291.94
    formic acid 696.46
    diethyl ether 739.05
    m-xylene 226.23
    p-xylene 401.58
    chlorobenzene 474.44
    dimethyl carbonate 230.87
    n-octane 60.61
    formamide 854.97
    cyclopentanone 973.75
    2-pentanone 585.16
    anisole 554.89
    cyclopentyl methyl ether 543.02
    gamma-butyrolactone 1190.23
    1-methoxy-2-propanol 979.34
    pyridine 870.64
    3-pentanone 477.23
    furfural 1135.26
    n-dodecane 59.3
    diethylene glycol 790.7
    diisopropyl ether 227.69
    tert-amyl alcohol 1349.11
    acetylacetone 645.82
    n-hexadecane 64.96
    acetophenone 539.98
    methyl propionate 501.45
    isopentyl acetate 494.91
    trichloroethylene 1768.14
    n-nonanol 437.51
    cyclohexanol 874.46
    benzyl alcohol 541.68
    2-ethylhexanol 429.49
    isooctanol 363.49
    dipropyl ether 336.94
    1,2-dichlorobenzene 511.45
    ethyl lactate 316.39
    propylene carbonate 667.61
    n-methylformamide 1035.88
    2-pentanol 703.25
    n-pentane 122.96
    1-propoxy-2-propanol 607.03
    1-methoxy-2-propyl acetate 403.85
    2-(2-methoxypropoxy) propanol 474.3
    mesitylene 182.05
    ε-caprolactone 869.26
    p-cymene 202.69
    epichlorohydrin 1249.92
    1,1,1-trichloroethane 939.06
    2-aminoethanol 880.85
    morpholine-4-carbaldehyde 1188.02
    sulfolane 1253.61
    2,2,4-trimethylpentane 106.05
    2-methyltetrahydrofuran 997.56
    n-hexyl acetate 647.18
    isooctane 67.7
    2-(2-butoxyethoxy)ethanol 676.19
    sec-butyl acetate 331.95
    tert-butyl acetate 472.63
    decalin 111.44
    glycerin 744.47
    diglyme 1200.09
    acrylic acid 757.61
    isopropyl myristate 243.94
    n-butyric acid 916.51
    acetyl acetate 401.77
    di(2-ethylhexyl) phthalate 232.32
    ethyl propionate 414.15
    nitromethane 1806.59
    1,2-diethoxyethane 578.33
    benzonitrile 678.21
    trioctyl phosphate 206.44
    1-bromopropane 645.29
    gamma-valerolactone 1308.89
    n-decanol 315.72
    triethyl phosphate 219.3
    4-methyl-2-pentanol 370.37
    propionitrile 777.77
    vinylene carbonate 726.87
    1,1,2-trichlorotrifluoroethane 996.7
    DMS 357.44
    cumene 234.26
    2-octanol 402.15
    2-hexanone 577.24
    octyl acetate 333.0
    limonene 296.24
    1,2-dimethoxyethane 1653.31
    ethyl orthosilicate 204.1
    tributyl phosphate 218.6
    diacetone alcohol 579.13
    N,N-dimethylaniline 429.28
    acrylonitrile 979.15
    aniline 427.01
    1,3-propanediol 1049.53
    bromobenzene 473.06
    dibromomethane 1264.27
    1,1,2,2-tetrachloroethane 1484.44
    2-methyl-cyclohexyl acetate 346.15
    tetrabutyl urea 265.49
    diisobutyl methanol 251.88
    2-phenylethanol 461.42
    styrene 318.15
    dioctyl adipate 325.0
    dimethyl sulfate 381.92
    ethyl butyrate 421.64
    methyl lactate 344.95
    butyl lactate 358.3
    diethyl carbonate 306.54
    propanediol butyl ether 631.18
    triethyl orthoformate 280.51
    p-tert-butyltoluene 202.01
    methyl 4-tert-butylbenzoate 475.21
    morpholine 1661.31
    tert-butylamine 1035.04
    n-dodecanol 243.53
    dimethoxymethane 825.2
    ethylene carbonate 591.19
    cyrene 456.95
    2-ethoxyethyl acetate 453.29
    2-ethylhexyl acetate 371.8
    1,2,4-trichlorobenzene 606.68
    4-methylpyridine 803.41
    dibutyl ether 382.14
    2,6-dimethyl-4-heptanol 251.88
    DEF 748.24
    dimethyl isosorbide 616.47
    tetrachloroethylene 1061.08
    eugenol 464.58
    triacetin 490.27
    span 80 438.6
    1,4-butanediol 643.89
    1,1-dichloroethane 1084.38
    2-methyl-1-pentanol 726.85
    methyl formate 905.62
    2-methyl-1-butanol 781.95
    n-decane 94.76
    butyronitrile 806.54
    3,7-dimethyl-1-octanol 428.69
    1-chlorooctane 301.13
    1-chlorotetradecane 134.18
    n-nonane 95.55
    undecane 72.24
    tert-butylcyclohexane 113.33
    cyclooctane 63.94
    cyclopentanol 914.06
    tetrahydropyran 1208.35
    tert-amyl methyl ether 653.37
    2,5,8-trioxanonane 783.22
    1-hexene 371.91
    2-isopropoxyethanol 753.35
    2,2,2-trifluoroethanol 440.27
    methyl butyrate 648.15

    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