Ethyl 2-hydroxy-3-methylbutanoate

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  • Identifiers

    CAS number
    2441-06-7

    Molecular formula
    C7H14O3

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 95.51%
    Caramellic 46.22%
    Buttery 45.84%
    Berry 35.98%
    Sweet 35.01%
    Pineapple 34.0%
    Ethereal 33.62%
    Winey 33.39%
    Tropical 28.75%
    Apple 28.39%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    175°C

    Flash point est.
    71.3 ˚C

  • Synonyms

    • Ethyl 2-hydroxy-3-methylbutanoate
    • 2441-06-7
    • Ethyl 2-hydroxyisovalerate
    • Butyric acid, 2-hydroxy-3-methyl-, ethyl ester
    • ethyl 2-hydroxy-3-methylbutyrate
    • Butanoic acid, 2-hydroxy-3-methyl-, ethyl ester
    • DTXSID80947282
    • ETHYL (R)-2-HYDROXY-3-METHYLBUTANOATE
    • SCHEMBL442749
    • DTXCID60940039
    • CHEBI:141045
    • NCA67418
    • AKOS011496932
    • SB45996
    • DB-334110
    • 801-128-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 669.5
    methanol 954.52
    isopropanol 530.1
    water 20.73
    ethyl acetate 121.48
    n-propanol 479.24
    acetone 264.17
    n-butanol 361.89
    acetonitrile 250.87
    DMF 485.35
    toluene 42.88
    isobutanol 318.9
    1,4-dioxane 545.73
    methyl acetate 184.69
    THF 411.75
    2-butanone 189.78
    n-pentanol 289.17
    sec-butanol 449.18
    n-hexane 24.82
    ethylene glycol 282.82
    NMP 435.11
    cyclohexane 53.9
    DMSO 538.26
    n-butyl acetate 165.88
    n-octanol 195.02
    chloroform 711.68
    n-propyl acetate 121.07
    acetic acid 757.2
    dichloromethane 607.24
    cyclohexanone 343.2
    propylene glycol 321.11
    isopropyl acetate 74.29
    DMAc 335.3
    2-ethoxyethanol 382.75
    isopentanol 230.54
    n-heptane 22.64
    ethyl formate 209.8
    1,2-dichloroethane 288.5
    n-hexanol 270.05
    2-methoxyethanol 609.7
    isobutyl acetate 75.08
    tetrachloromethane 97.67
    n-pentyl acetate 133.24
    transcutol 530.55
    n-heptanol 172.9
    ethylbenzene 57.24
    MIBK 76.35
    2-propoxyethanol 328.73
    tert-butanol 435.6
    MTBE 177.4
    2-butoxyethanol 237.15
    propionic acid 392.08
    o-xylene 57.49
    formic acid 366.96
    diethyl ether 121.43
    m-xylene 40.99
    p-xylene 87.94
    chlorobenzene 141.61
    dimethyl carbonate 52.38
    n-octane 16.97
    formamide 357.55
    cyclopentanone 344.25
    2-pentanone 110.75
    anisole 128.31
    cyclopentyl methyl ether 131.96
    gamma-butyrolactone 478.93
    1-methoxy-2-propanol 338.52
    pyridine 273.29
    3-pentanone 82.25
    furfural 463.84
    n-dodecane 17.48
    diethylene glycol 339.61
    diisopropyl ether 38.27
    tert-amyl alcohol 395.99
    acetylacetone 131.42
    n-hexadecane 19.2
    acetophenone 150.89
    methyl propionate 107.05
    isopentyl acetate 145.03
    trichloroethylene 578.63
    n-nonanol 157.57
    cyclohexanol 336.37
    benzyl alcohol 179.88
    2-ethylhexanol 158.4
    isooctanol 133.45
    dipropyl ether 80.05
    1,2-dichlorobenzene 166.48
    ethyl lactate 114.03
    propylene carbonate 275.03
    n-methylformamide 363.99
    2-pentanol 209.89
    n-pentane 22.59
    1-propoxy-2-propanol 223.88
    1-methoxy-2-propyl acetate 121.58
    2-(2-methoxypropoxy) propanol 193.72
    mesitylene 36.41
    ε-caprolactone 314.17
    p-cymene 62.59
    epichlorohydrin 415.95
    1,1,1-trichloroethane 214.93
    2-aminoethanol 417.66
    morpholine-4-carbaldehyde 393.18
    sulfolane 594.21
    2,2,4-trimethylpentane 20.83
    2-methyltetrahydrofuran 286.91
    n-hexyl acetate 209.15
    isooctane 14.26
    2-(2-butoxyethoxy)ethanol 271.31
    sec-butyl acetate 68.77
    tert-butyl acetate 91.75
    decalin 30.12
    glycerin 389.64
    diglyme 414.92
    acrylic acid 386.73
    isopropyl myristate 77.82
    n-butyric acid 355.92
    acetyl acetate 88.25
    di(2-ethylhexyl) phthalate 101.76
    ethyl propionate 86.46
    nitromethane 619.15
    1,2-diethoxyethane 144.96
    benzonitrile 209.95
    trioctyl phosphate 86.2
    1-bromopropane 147.97
    gamma-valerolactone 467.84
    n-decanol 119.25
    triethyl phosphate 77.22
    4-methyl-2-pentanol 100.8
    propionitrile 196.48
    vinylene carbonate 280.84
    1,1,2-trichlorotrifluoroethane 455.16
    DMS 115.82
    cumene 56.21
    2-octanol 139.31
    2-hexanone 129.81
    octyl acetate 112.64
    limonene 89.19
    1,2-dimethoxyethane 433.39
    ethyl orthosilicate 69.67
    tributyl phosphate 85.76
    diacetone alcohol 177.23
    N,N-dimethylaniline 102.72
    acrylonitrile 272.22
    aniline 121.92
    1,3-propanediol 479.04
    bromobenzene 120.27
    dibromomethane 389.62
    1,1,2,2-tetrachloroethane 520.97
    2-methyl-cyclohexyl acetate 130.6
    tetrabutyl urea 107.15
    diisobutyl methanol 86.37
    2-phenylethanol 171.04
    styrene 68.17
    dioctyl adipate 126.31
    dimethyl sulfate 113.87
    ethyl butyrate 107.88
    methyl lactate 128.14
    butyl lactate 143.26
    diethyl carbonate 94.26
    propanediol butyl ether 279.64
    triethyl orthoformate 88.07
    p-tert-butyltoluene 59.17
    methyl 4-tert-butylbenzoate 172.65
    morpholine 507.31
    tert-butylamine 256.86
    n-dodecanol 91.37
    dimethoxymethane 171.37
    ethylene carbonate 213.44
    cyrene 203.95
    2-ethoxyethyl acetate 139.41
    2-ethylhexyl acetate 110.98
    1,2,4-trichlorobenzene 211.48
    4-methylpyridine 186.35
    dibutyl ether 104.04
    2,6-dimethyl-4-heptanol 86.37
    DEF 170.3
    dimethyl isosorbide 255.32
    tetrachloroethylene 376.22
    eugenol 181.1
    triacetin 171.43
    span 80 210.15
    1,4-butanediol 260.55
    1,1-dichloroethane 254.43
    2-methyl-1-pentanol 214.88
    methyl formate 271.72
    2-methyl-1-butanol 247.95
    n-decane 27.23
    butyronitrile 208.49
    3,7-dimethyl-1-octanol 147.2
    1-chlorooctane 94.5
    1-chlorotetradecane 41.98
    n-nonane 26.43
    undecane 21.24
    tert-butylcyclohexane 28.31
    cyclooctane 15.8
    cyclopentanol 391.17
    tetrahydropyran 330.38
    tert-amyl methyl ether 123.78
    2,5,8-trioxanonane 305.51
    1-hexene 77.45
    2-isopropoxyethanol 226.68
    2,2,2-trifluoroethanol 226.46
    methyl butyrate 153.48

    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