Ethyl 2-hydroxy-2-methylpentanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1617-38-5

    Molecular formula
    C8H16O3

    SMILES
    CCCC(C)(C(=O)OCC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.11%
    Caramellic 54.76%
    Buttery 54.4%
    Sweet 50.8%
    Creamy 42.49%
    Winey 37.41%
    Nutty 34.43%
    Milky 33.15%
    Dairy 27.22%
    Berry 26.0%

     

    Flavor
    Fruity 84.87%
    Sweet 48.62%
    Fruit 40.33%
    Creamy 39.47%
    Berry 36.5%
    Tropical 35.24%
    Waxy 34.17%
    Green 32.49%
    Grape 31.99%
    Pineapple 31.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.97 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    178°C

    Flash point

    • 70.42 ˚C est.

  • Synonyms

    • Ethyl 2-hydroxy-2-methylpentanoate
    • 1617-38-5
    • SCHEMBL16370788
    • SCHEMBL27753120
    • DTXSID40734352
    • AKOS011495357
    • 1617-38-5

  • Applications

    Ethyl 2-hydroxy-2-methylpentanoate (CAS 1617-38-5) is primarily used as a chiral building block and fragrance/flavor intermediate in chemical synthesis. In perfumery, it serves as an aroma intermediate and can contribute to specific fragrance notes in formulations. In cosmetics and personal care, it may be used as a fragrance ingredient or as a precursor to other cosmetic actives. In pharmaceutical development, it functions as a chiral building block for the synthesis of beta-hydroxy esters and related drug intermediates. In industrial manufacturing, it serves as an intermediate for preparing higher-value esters and specialty polymers; in polymers/plastics, it may serve as a monomer or co-monomer in branched polyester systems. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4568.57
    methanol 7323.03
    isopropanol 3654.78
    water 20.0
    ethyl acetate 1147.11
    n-propanol 3503.21
    acetone 2043.34
    n-butanol 2697.93
    acetonitrile 1759.43
    DMF 2512.85
    toluene 551.34
    isobutanol 2476.59
    1,4-dioxane 3528.79
    methyl acetate 1262.67
    THF 2805.25
    2-butanone 1494.14
    n-pentanol 2159.43
    sec-butanol 3010.33
    n-hexane 303.26
    ethylene glycol 1032.77
    NMP 1357.53
    cyclohexane 527.27
    DMSO 2118.82
    n-butyl acetate 1113.55
    n-octanol 968.51
    chloroform 3416.83
    n-propyl acetate 897.94
    acetic acid 3015.69
    dichloromethane 2591.01
    cyclohexanone 1865.02
    propylene glycol 1189.75
    isopropyl acetate 731.91
    DMAc 1493.24
    2-ethoxyethanol 2390.53
    isopentanol 2022.41
    n-heptane 158.41
    ethyl formate 1278.19
    1,2-dichloroethane 1574.85
    n-hexanol 1879.73
    2-methoxyethanol 3481.93
    isobutyl acetate 567.1
    tetrachloromethane 650.4
    n-pentyl acetate 763.58
    transcutol 2627.2
    n-heptanol 859.78
    ethylbenzene 432.44
    MIBK 744.1
    2-propoxyethanol 2191.54
    tert-butanol 3635.95
    MTBE 2119.36
    2-butoxyethanol 1183.34
    propionic acid 1585.55
    o-xylene 437.77
    formic acid 1464.44
    diethyl ether 1817.69
    m-xylene 405.24
    p-xylene 572.47
    chlorobenzene 798.02
    dimethyl carbonate 367.64
    n-octane 97.31
    formamide 1343.14
    cyclopentanone 1580.07
    2-pentanone 1160.23
    anisole 784.4
    cyclopentyl methyl ether 1139.05
    gamma-butyrolactone 1845.6
    1-methoxy-2-propanol 2011.49
    pyridine 1614.4
    3-pentanone 792.7
    furfural 1610.13
    n-dodecane 81.54
    diethylene glycol 1624.9
    diisopropyl ether 466.83
    tert-amyl alcohol 3093.53
    acetylacetone 1018.6
    n-hexadecane 89.66
    acetophenone 711.41
    methyl propionate 824.26
    isopentyl acetate 965.41
    trichloroethylene 2659.11
    n-nonanol 729.64
    cyclohexanol 2121.53
    benzyl alcohol 887.16
    2-ethylhexanol 826.33
    isooctanol 647.42
    dipropyl ether 681.73
    1,2-dichlorobenzene 712.56
    ethyl lactate 454.35
    propylene carbonate 1038.72
    n-methylformamide 1790.22
    2-pentanol 1793.53
    n-pentane 311.4
    1-propoxy-2-propanol 1249.13
    1-methoxy-2-propyl acetate 726.66
    2-(2-methoxypropoxy) propanol 702.21
    mesitylene 294.1
    ε-caprolactone 1576.68
    p-cymene 291.49
    epichlorohydrin 2147.7
    1,1,1-trichloroethane 1538.67
    2-aminoethanol 1889.79
    morpholine-4-carbaldehyde 1805.32
    sulfolane 1710.73
    2,2,4-trimethylpentane 192.48
    2-methyltetrahydrofuran 2043.09
    n-hexyl acetate 1091.1
    isooctane 131.45
    2-(2-butoxyethoxy)ethanol 1065.17
    sec-butyl acetate 538.97
    tert-butyl acetate 837.07
    decalin 195.25
    glycerin 1386.75
    diglyme 1924.46
    acrylic acid 1196.97
    isopropyl myristate 351.4
    n-butyric acid 2018.74
    acetyl acetate 674.78
    di(2-ethylhexyl) phthalate 333.36
    ethyl propionate 655.71
    nitromethane 2861.02
    1,2-diethoxyethane 1037.95
    benzonitrile 1035.99
    trioctyl phosphate 286.47
    1-bromopropane 1193.43
    gamma-valerolactone 2193.53
    n-decanol 485.61
    triethyl phosphate 300.86
    4-methyl-2-pentanol 814.82
    propionitrile 1588.41
    vinylene carbonate 1041.37
    1,1,2-trichlorotrifluoroethane 1554.54
    DMS 512.82
    cumene 325.3
    2-octanol 690.84
    2-hexanone 1011.33
    octyl acetate 484.95
    limonene 461.26
    1,2-dimethoxyethane 3086.77
    ethyl orthosilicate 308.7
    tributyl phosphate 311.97
    diacetone alcohol 985.58
    N,N-dimethylaniline 544.41
    acrylonitrile 1584.79
    aniline 799.09
    1,3-propanediol 2404.57
    bromobenzene 782.39
    dibromomethane 1843.33
    1,1,2,2-tetrachloroethane 2398.75
    2-methyl-cyclohexyl acetate 524.3
    tetrabutyl urea 379.22
    diisobutyl methanol 445.27
    2-phenylethanol 792.24
    styrene 520.67
    dioctyl adipate 432.52
    dimethyl sulfate 521.83
    ethyl butyrate 633.73
    methyl lactate 517.57
    butyl lactate 575.02
    diethyl carbonate 420.76
    propanediol butyl ether 1108.16
    triethyl orthoformate 451.15
    p-tert-butyltoluene 292.63
    methyl 4-tert-butylbenzoate 607.97
    morpholine 3545.97
    tert-butylamine 2262.97
    n-dodecanol 347.57
    dimethoxymethane 1554.67
    ethylene carbonate 980.48
    cyrene 612.51
    2-ethoxyethyl acetate 754.27
    2-ethylhexyl acetate 693.98
    1,2,4-trichlorobenzene 799.96
    4-methylpyridine 1521.4
    dibutyl ether 656.85
    2,6-dimethyl-4-heptanol 445.27
    DEF 1305.73
    dimethyl isosorbide 919.41
    tetrachloroethylene 1783.51
    eugenol 620.0
    triacetin 600.16
    span 80 681.63
    1,4-butanediol 1353.51
    1,1-dichloroethane 1782.4
    2-methyl-1-pentanol 1655.09
    methyl formate 1498.58
    2-methyl-1-butanol 2044.52
    n-decane 144.92
    butyronitrile 1797.01
    3,7-dimethyl-1-octanol 695.28
    1-chlorooctane 467.57
    1-chlorotetradecane 180.18
    n-nonane 154.51
    undecane 104.08
    tert-butylcyclohexane 195.84
    cyclooctane 133.7
    cyclopentanol 1939.92
    tetrahydropyran 3056.75
    tert-amyl methyl ether 1342.41
    2,5,8-trioxanonane 1141.5
    1-hexene 911.71
    2-isopropoxyethanol 1382.27
    2,2,2-trifluoroethanol 696.54
    methyl butyrate 1031.86

    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