Ethyl 2-(hydroxymethyl)pentanoate

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  • Identifiers

    CAS number
    1259300-36-1

    Molecular formula
    C8H16O3

    SMILES
    CCCC(CO)C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 93.14%
    Apple 48.27%
    Winey 42.15%
    Tropical 38.78%
    Pineapple 38.59%
    Oily 35.64%
    Sweet 35.3%
    Fatty 33.3%
    Herbal 31.24%
    Berry 29.14%

     

    Flavor
    Fruity 81.39%
    Sweet 46.69%
    Pineapple 43.02%
    Tropical 42.1%
    Waxy 40.89%
    Green 39.68%
    Apple 39.47%
    Berry 37.82%
    Fruit 36.94%
    Grape 34.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.44 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    211°C

    Flash point

    • 90.69 ˚C est.

  • Synonyms

    • ethyl 2-(hydroxymethyl)pentanoate
    • AKOS021364317
    • EN300-1296808
    • 1259300-36-1

  • Applications

    Ethyl 2-(hydroxymethyl)pentanoate (1259300-36-1) is an ester commonly used as an organic synthesis intermediate and may act as a solvent in certain formulations. Practical applications include: (1) fragrance and cosmetics as a fragrance ingredient or precursor for personal care formulations; (2) coatings/inks and polymers/plastics as a solvent or precursor for polymer synthesis and film-forming resins; (3) industrial manufacturing as an intermediate in the preparation of other functional organic compounds; (4) a platform for developing new ester derivatives via esterification or hydroxymethyl transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2359.84
    methanol 3827.1
    isopropanol 2000.11
    water 6.32
    ethyl acetate 463.97
    n-propanol 1700.38
    acetone 1159.99
    n-butanol 1330.51
    acetonitrile 893.5
    DMF 1972.17
    toluene 194.16
    isobutanol 1247.49
    1,4-dioxane 1559.53
    methyl acetate 557.74
    THF 1651.14
    2-butanone 686.39
    n-pentanol 947.24
    sec-butanol 1386.8
    n-hexane 66.25
    ethylene glycol 751.88
    NMP 1278.29
    cyclohexane 147.87
    DMSO 2034.79
    n-butyl acetate 441.94
    n-octanol 324.09
    chloroform 2049.96
    n-propyl acetate 348.75
    acetic acid 2047.13
    dichloromethane 1684.66
    cyclohexanone 1193.64
    propylene glycol 891.04
    isopropyl acetate 299.48
    DMAc 1057.94
    2-ethoxyethanol 1010.8
    isopentanol 911.15
    n-heptane 40.13
    ethyl formate 628.76
    1,2-dichloroethane 1003.98
    n-hexanol 733.58
    2-methoxyethanol 1913.94
    isobutyl acetate 232.36
    tetrachloromethane 273.71
    n-pentyl acetate 301.07
    transcutol 1169.99
    n-heptanol 291.27
    ethylbenzene 140.75
    MIBK 320.63
    2-propoxyethanol 940.54
    tert-butanol 1802.65
    MTBE 712.95
    2-butoxyethanol 477.41
    propionic acid 1123.81
    o-xylene 164.87
    formic acid 798.01
    diethyl ether 539.74
    m-xylene 155.38
    p-xylene 203.93
    chlorobenzene 480.76
    dimethyl carbonate 177.26
    n-octane 20.23
    formamide 785.76
    cyclopentanone 1184.23
    2-pentanone 498.37
    anisole 317.37
    cyclopentyl methyl ether 564.88
    gamma-butyrolactone 1420.61
    1-methoxy-2-propanol 1090.06
    pyridine 978.05
    3-pentanone 324.59
    furfural 1121.17
    n-dodecane 21.64
    diethylene glycol 877.33
    diisopropyl ether 134.25
    tert-amyl alcohol 1235.92
    acetylacetone 494.37
    n-hexadecane 24.21
    acetophenone 334.26
    methyl propionate 397.24
    isopentyl acetate 381.47
    trichloroethylene 1750.66
    n-nonanol 250.19
    cyclohexanol 1096.18
    benzyl alcohol 429.06
    2-ethylhexanol 330.74
    isooctanol 226.73
    dipropyl ether 232.38
    1,2-dichlorobenzene 401.05
    ethyl lactate 248.41
    propylene carbonate 767.19
    n-methylformamide 1184.07
    2-pentanol 716.36
    n-pentane 72.11
    1-propoxy-2-propanol 583.01
    1-methoxy-2-propyl acetate 339.29
    2-(2-methoxypropoxy) propanol 348.99
    mesitylene 115.49
    ε-caprolactone 885.33
    p-cymene 111.22
    epichlorohydrin 1367.98
    1,1,1-trichloroethane 828.4
    2-aminoethanol 1281.46
    morpholine-4-carbaldehyde 1129.0
    sulfolane 1605.15
    2,2,4-trimethylpentane 49.68
    2-methyltetrahydrofuran 1090.37
    n-hexyl acetate 427.41
    isooctane 37.38
    2-(2-butoxyethoxy)ethanol 499.75
    sec-butyl acetate 213.97
    tert-butyl acetate 345.45
    decalin 61.51
    glycerin 994.94
    diglyme 890.88
    acrylic acid 964.14
    isopropyl myristate 147.85
    n-butyric acid 1279.68
    acetyl acetate 300.48
    di(2-ethylhexyl) phthalate 173.47
    ethyl propionate 251.09
    nitromethane 1766.7
    1,2-diethoxyethane 367.06
    benzonitrile 563.47
    trioctyl phosphate 145.79
    1-bromopropane 569.34
    gamma-valerolactone 1397.89
    n-decanol 173.31
    triethyl phosphate 146.43
    4-methyl-2-pentanol 323.61
    propionitrile 789.59
    vinylene carbonate 692.26
    1,1,2-trichlorotrifluoroethane 1110.94
    DMS 238.03
    cumene 110.73
    2-octanol 218.28
    2-hexanone 404.78
    octyl acetate 201.78
    limonene 181.08
    1,2-dimethoxyethane 1286.24
    ethyl orthosilicate 142.03
    tributyl phosphate 162.63
    diacetone alcohol 511.13
    N,N-dimethylaniline 229.85
    acrylonitrile 937.0
    aniline 445.58
    1,3-propanediol 1343.5
    bromobenzene 441.08
    dibromomethane 1108.39
    1,1,2,2-tetrachloroethane 1538.97
    2-methyl-cyclohexyl acetate 244.05
    tetrabutyl urea 214.36
    diisobutyl methanol 183.57
    2-phenylethanol 353.6
    styrene 194.6
    dioctyl adipate 224.72
    dimethyl sulfate 337.51
    ethyl butyrate 270.23
    methyl lactate 348.38
    butyl lactate 283.25
    diethyl carbonate 197.45
    propanediol butyl ether 519.06
    triethyl orthoformate 205.27
    p-tert-butyltoluene 108.16
    methyl 4-tert-butylbenzoate 302.24
    morpholine 1883.47
    tert-butylamine 958.92
    n-dodecanol 131.71
    dimethoxymethane 715.25
    ethylene carbonate 604.82
    cyrene 395.7
    2-ethoxyethyl acetate 314.48
    2-ethylhexyl acetate 263.36
    1,2,4-trichlorobenzene 467.47
    4-methylpyridine 812.38
    dibutyl ether 218.08
    2,6-dimethyl-4-heptanol 183.57
    DEF 686.1
    dimethyl isosorbide 499.06
    tetrachloroethylene 997.38
    eugenol 329.84
    triacetin 306.89
    span 80 374.88
    1,4-butanediol 702.92
    1,1-dichloroethane 1092.77
    2-methyl-1-pentanol 662.92
    methyl formate 826.63
    2-methyl-1-butanol 879.31
    n-decane 35.07
    butyronitrile 940.7
    3,7-dimethyl-1-octanol 262.61
    1-chlorooctane 159.38
    1-chlorotetradecane 63.75
    n-nonane 34.57
    undecane 26.27
    tert-butylcyclohexane 57.37
    cyclooctane 33.93
    cyclopentanol 1249.96
    tetrahydropyran 1376.17
    tert-amyl methyl ether 425.28
    2,5,8-trioxanonane 567.47
    1-hexene 273.46
    2-isopropoxyethanol 578.36
    2,2,2-trifluoroethanol 461.98
    methyl butyrate 449.18

    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