Ethyl 2-hydroxy-3-methylvalerate

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  • Identifiers

    CAS number
    24323-38-4

    Molecular formula
    C8H16O3

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

  • Odor profile

    Fragrance
    Fruity 93.97%
    Buttery 41.82%
    Caramellic 39.58%
    Berry 35.59%
    Winey 33.22%
    Sweet 26.57%
    Pineapple 26.48%
    Apple 26.2%
    Creamy 25.86%
    Ethereal 24.72%

     

    Flavor
    Fruity 86.64%
    Berry 39.29%
    Sweet 37.05%
    Creamy 34.76%
    Grape 30.68%
    Tropical 28.59%
    Waxy 28.57%
    Buttery 28.48%
    Fruit 27.62%
    Cheese 24.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.39 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 78.37 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Ethyl 2-hydroxy-3-methylpentanoate
    • 24323-38-4
    • 2-Hydroxy-3-methylpentanoic acid ethyl ester
    • ETHYL 2-HYDROXY-3-METHYLVALERATE
    • FEMA No. 4269
    • (+/-)-Ethyl 2-hydroxy-3-methylvalerate
    • B476ID66GF
    • Ethyl 2-hydroxy-3-methylvalerate, (+/-)-
    • Valeric acid, 2-hydroxy-3-methyl-, ethyl ester
    • Pentanoic acid, 2-hydroxy-3-methyl-, ethyl ester
    • DTXSID50947158
    • (+/-)-Ethyl 2-hydroxy-3-methylvalerate [FIFH]
    • (+/-)-ETHYL 2-HYDROXY-3-METHYLVALERATE [FHFI]
    • (+/-)-Ethyl 2-hydroxy-3-methylvalerate (FIFH)
    • UNII-B476ID66GF
    • SCHEMBL8065451
    • CHEBI:173698
    • Ethyl2-hydroxy-3-methylpentanoate
    • TXLBCYISDOYPIH-UHFFFAOYSA-N
    • DTXCID801375424
    • LMFA07010694
    • AKOS011496933
    • Ethyl 2-(d)-hydroxy-3-methylpentanoate
    • (2r,4s)-ethyl-2-hydroxy-3-methylpentanoate
    • Q27274340
    • 607-357-7

  • Applications

    Ethyl 2-hydroxy-3-methylvalerate (CAS 24323-38-4) is primarily used as an intermediate in fragrance and flavor chemistry, serving as a building block for the synthesis of branched ester aroma compounds. It may also function as a processing solvent or co-solvent in cosmetic and household formulations. In materials and coatings, it can participate in polymer synthesis or act as a potential plasticizer in specialty polymer systems. Additionally, it is used as a chemical intermediate in pharmaceutical and agrochemical syntheses, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1312.68
    methanol 1941.32
    isopropanol 1077.24
    water 12.92
    ethyl acetate 219.45
    n-propanol 942.37
    acetone 421.17
    n-butanol 761.09
    acetonitrile 408.78
    DMF 804.71
    toluene 85.44
    isobutanol 668.05
    1,4-dioxane 1076.23
    methyl acetate 338.13
    THF 692.08
    2-butanone 338.77
    n-pentanol 600.83
    sec-butanol 878.89
    n-hexane 28.65
    ethylene glycol 416.41
    NMP 556.94
    cyclohexane 83.27
    DMSO 932.43
    n-butyl acetate 267.73
    n-octanol 246.41
    chloroform 982.16
    n-propyl acetate 202.75
    acetic acid 1108.58
    dichloromethane 769.19
    cyclohexanone 577.14
    propylene glycol 506.51
    isopropyl acetate 138.12
    DMAc 513.09
    2-ethoxyethanol 691.04
    isopentanol 521.86
    n-heptane 20.81
    ethyl formate 340.06
    1,2-dichloroethane 468.93
    n-hexanol 505.01
    2-methoxyethanol 1158.27
    isobutyl acetate 131.92
    tetrachloromethane 150.7
    n-pentyl acetate 193.42
    transcutol 990.26
    n-heptanol 255.0
    ethylbenzene 93.21
    MIBK 136.36
    2-propoxyethanol 569.89
    tert-butanol 997.93
    MTBE 407.41
    2-butoxyethanol 400.55
    propionic acid 588.05
    o-xylene 93.36
    formic acid 564.61
    diethyl ether 257.73
    m-xylene 70.19
    p-xylene 132.42
    chlorobenzene 247.32
    dimethyl carbonate 72.24
    n-octane 16.54
    formamide 621.55
    cyclopentanone 481.74
    2-pentanone 198.91
    anisole 196.16
    cyclopentyl methyl ether 213.18
    gamma-butyrolactone 623.55
    1-methoxy-2-propanol 609.27
    pyridine 511.78
    3-pentanone 135.8
    furfural 664.79
    n-dodecane 17.36
    diethylene glycol 553.73
    diisopropyl ether 68.62
    tert-amyl alcohol 887.18
    acetylacetone 209.15
    n-hexadecane 19.44
    acetophenone 206.54
    methyl propionate 173.39
    isopentyl acetate 248.04
    trichloroethylene 853.25
    n-nonanol 198.6
    cyclohexanol 640.53
    benzyl alcohol 283.3
    2-ethylhexanol 240.88
    isooctanol 194.2
    dipropyl ether 110.64
    1,2-dichlorobenzene 240.35
    ethyl lactate 147.0
    propylene carbonate 345.33
    n-methylformamide 588.72
    2-pentanol 416.63
    n-pentane 28.79
    1-propoxy-2-propanol 362.34
    1-methoxy-2-propyl acetate 187.06
    2-(2-methoxypropoxy) propanol 267.14
    mesitylene 59.23
    ε-caprolactone 502.04
    p-cymene 78.25
    epichlorohydrin 646.87
    1,1,1-trichloroethane 390.64
    2-aminoethanol 722.59
    morpholine-4-carbaldehyde 601.29
    sulfolane 735.27
    2,2,4-trimethylpentane 29.28
    2-methyltetrahydrofuran 458.29
    n-hexyl acetate 279.07
    isooctane 19.44
    2-(2-butoxyethoxy)ethanol 413.55
    sec-butyl acetate 114.78
    tert-butyl acetate 165.57
    decalin 38.2
    glycerin 586.65
    diglyme 667.99
    acrylic acid 514.06
    isopropyl myristate 96.97
    n-butyric acid 624.68
    acetyl acetate 152.07
    di(2-ethylhexyl) phthalate 122.64
    ethyl propionate 125.79
    nitromethane 919.3
    1,2-diethoxyethane 265.39
    benzonitrile 333.53
    trioctyl phosphate 97.19
    1-bromopropane 241.76
    gamma-valerolactone 751.82
    n-decanol 145.36
    triethyl phosphate 91.73
    4-methyl-2-pentanol 193.45
    propionitrile 342.28
    vinylene carbonate 374.77
    1,1,2-trichlorotrifluoroethane 628.88
    DMS 154.14
    cumene 78.64
    2-octanol 191.35
    2-hexanone 217.37
    octyl acetate 136.62
    limonene 114.36
    1,2-dimethoxyethane 780.46
    ethyl orthosilicate 90.87
    tributyl phosphate 102.17
    diacetone alcohol 275.9
    N,N-dimethylaniline 141.0
    acrylonitrile 437.76
    aniline 230.26
    1,3-propanediol 935.87
    bromobenzene 208.13
    dibromomethane 508.07
    1,1,2,2-tetrachloroethane 775.81
    2-methyl-cyclohexyl acetate 164.69
    tetrabutyl urea 130.3
    diisobutyl methanol 124.06
    2-phenylethanol 265.64
    styrene 114.61
    dioctyl adipate 145.62
    dimethyl sulfate 139.84
    ethyl butyrate 150.56
    methyl lactate 175.98
    butyl lactate 186.56
    diethyl carbonate 119.75
    propanediol butyl ether 414.96
    triethyl orthoformate 121.67
    p-tert-butyltoluene 77.43
    methyl 4-tert-butylbenzoate 210.21
    morpholine 1109.0
    tert-butylamine 541.44
    n-dodecanol 109.01
    dimethoxymethane 298.32
    ethylene carbonate 302.33
    cyrene 254.88
    2-ethoxyethyl acetate 219.12
    2-ethylhexyl acetate 177.2
    1,2,4-trichlorobenzene 278.43
    4-methylpyridine 360.48
    dibutyl ether 139.6
    2,6-dimethyl-4-heptanol 124.06
    DEF 293.44
    dimethyl isosorbide 336.56
    tetrachloroethylene 573.84
    eugenol 238.21
    triacetin 194.15
    span 80 287.88
    1,4-butanediol 467.94
    1,1-dichloroethane 434.51
    2-methyl-1-pentanol 448.64
    methyl formate 404.61
    2-methyl-1-butanol 525.78
    n-decane 27.5
    butyronitrile 376.34
    3,7-dimethyl-1-octanol 193.26
    1-chlorooctane 108.02
    1-chlorotetradecane 46.16
    n-nonane 25.95
    undecane 21.3
    tert-butylcyclohexane 34.67
    cyclooctane 18.98
    cyclopentanol 625.4
    tetrahydropyran 660.8
    tert-amyl methyl ether 253.94
    2,5,8-trioxanonane 442.73
    1-hexene 119.81
    2-isopropoxyethanol 396.73
    2,2,2-trifluoroethanol 288.78
    methyl butyrate 236.04

    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