Ethyl 4-hydroxypentanoate

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  • Identifiers

    CAS number
    6149-46-8

    Molecular formula
    C7H14O3

    SMILES
    CCOC(=O)CCC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.12%
    Sweet 42.99%
    Caramellic 40.83%
    Winey 39.09%
    Buttery 37.63%
    Ethereal 31.95%
    Fresh 30.45%
    Oily 29.83%
    Fatty 28.77%
    Tropical 27.93%

     

    Flavor
    Fruity 88.29%
    Pineapple 50.82%
    Sweet 47.14%
    Tropical 46.63%
    Fruit 46.07%
    Green 41.85%
    Grape 39.02%
    Berry 35.36%
    Wine 31.11%
    Apple 30.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    8.84 (weak base)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    211°C

    Flash point

    • 88.23 ˚C est.

  • Synonyms

    • ethyl 4-hydroxypentanoate
    • 6149-46-8
    • Pentanoic acid, 4-hydroxy-, ethyl ester
    • SCHEMBL985537
    • SCHEMBL7291178
    • RATJOUJXNFFTQR-UHFFFAOYSA-N
    • AKOS010914934
    • CS-0278526
    • EN300-1296871
    • 6149-46-8

  • Applications

    Ethyl 4-hydroxypentanoate (CAS 6149-46-8) is primarily used as an organic-synthesis intermediate and building block for specialty polymers; it can serve as a co-monomer or precursor in the preparation of polyester-type materials and related chemistries. It may also function as a solvent or processing aid in formulations such as coatings, inks, and adhesives due to its ester and hydroxyl functionalities. The compound can serve as a plasticizer or modifier in polymer formulations to influence flexibility and processing. In addition, it is occasionally evaluated as a starting point for pharmaceutical or agrochemical intermediates, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2010.69
    methanol 3542.46
    isopropanol 1394.78
    water 112.32
    ethyl acetate 218.02
    n-propanol 1109.9
    acetone 599.04
    n-butanol 883.05
    acetonitrile 561.15
    DMF 1497.2
    toluene 77.35
    isobutanol 696.67
    1,4-dioxane 877.56
    methyl acetate 305.53
    THF 776.73
    2-butanone 324.09
    n-pentanol 514.3
    sec-butanol 789.86
    n-hexane 29.06
    ethylene glycol 727.49
    NMP 692.89
    cyclohexane 33.88
    DMSO 1194.33
    n-butyl acetate 145.26
    n-octanol 145.71
    chloroform 474.11
    n-propyl acetate 128.46
    acetic acid 1598.18
    dichloromethane 420.66
    cyclohexanone 421.08
    propylene glycol 715.96
    isopropyl acetate 121.36
    DMAc 1059.04
    2-ethoxyethanol 863.96
    isopentanol 571.27
    n-heptane 12.03
    ethyl formate 377.1
    1,2-dichloroethane 238.34
    n-hexanol 314.6
    2-methoxyethanol 1641.67
    isobutyl acetate 86.48
    tetrachloromethane 74.23
    n-pentyl acetate 95.56
    transcutol 963.03
    n-heptanol 119.02
    ethylbenzene 58.04
    MIBK 133.79
    2-propoxyethanol 531.47
    tert-butanol 1170.5
    MTBE 374.54
    2-butoxyethanol 264.75
    propionic acid 677.14
    o-xylene 72.89
    formic acid 1183.45
    diethyl ether 251.3
    m-xylene 64.4
    p-xylene 83.19
    chlorobenzene 126.45
    dimethyl carbonate 83.0
    n-octane 6.65
    formamide 936.86
    cyclopentanone 417.94
    2-pentanone 234.51
    anisole 180.93
    cyclopentyl methyl ether 225.78
    gamma-butyrolactone 490.09
    1-methoxy-2-propanol 794.17
    pyridine 382.8
    3-pentanone 125.89
    furfural 554.98
    n-dodecane 7.81
    diethylene glycol 599.82
    diisopropyl ether 49.11
    tert-amyl alcohol 750.41
    acetylacetone 221.75
    n-hexadecane 8.43
    acetophenone 159.01
    methyl propionate 175.08
    isopentyl acetate 136.42
    trichloroethylene 393.98
    n-nonanol 118.71
    cyclohexanol 457.84
    benzyl alcohol 247.04
    2-ethylhexanol 136.82
    isooctanol 90.24
    dipropyl ether 85.0
    1,2-dichlorobenzene 118.28
    ethyl lactate 121.59
    propylene carbonate 251.75
    n-methylformamide 859.64
    2-pentanol 404.36
    n-pentane 27.81
    1-propoxy-2-propanol 292.84
    1-methoxy-2-propyl acetate 142.99
    2-(2-methoxypropoxy) propanol 245.73
    mesitylene 39.53
    ε-caprolactone 365.23
    p-cymene 38.05
    epichlorohydrin 453.53
    1,1,1-trichloroethane 177.5
    2-aminoethanol 1138.93
    morpholine-4-carbaldehyde 822.6
    sulfolane 545.9
    2,2,4-trimethylpentane 18.59
    2-methyltetrahydrofuran 482.87
    n-hexyl acetate 161.93
    isooctane 10.76
    2-(2-butoxyethoxy)ethanol 335.03
    sec-butyl acetate 87.44
    tert-butyl acetate 137.27
    decalin 20.56
    glycerin 829.18
    diglyme 528.29
    acrylic acid 576.62
    isopropyl myristate 57.33
    n-butyric acid 673.72
    acetyl acetate 143.08
    di(2-ethylhexyl) phthalate 81.38
    ethyl propionate 104.54
    nitromethane 1152.49
    1,2-diethoxyethane 192.52
    benzonitrile 246.25
    trioctyl phosphate 57.18
    1-bromopropane 156.75
    gamma-valerolactone 678.38
    n-decanol 81.2
    triethyl phosphate 63.21
    4-methyl-2-pentanol 172.73
    propionitrile 372.84
    vinylene carbonate 277.88
    1,1,2-trichlorotrifluoroethane 577.64
    DMS 107.45
    cumene 46.49
    2-octanol 83.38
    2-hexanone 167.63
    octyl acetate 76.88
    limonene 58.65
    1,2-dimethoxyethane 911.48
    ethyl orthosilicate 63.04
    tributyl phosphate 71.11
    diacetone alcohol 270.9
    N,N-dimethylaniline 135.35
    acrylonitrile 459.17
    aniline 235.92
    1,3-propanediol 1276.51
    bromobenzene 99.23
    dibromomethane 252.69
    1,1,2,2-tetrachloroethane 367.79
    2-methyl-cyclohexyl acetate 95.89
    tetrabutyl urea 98.99
    diisobutyl methanol 70.36
    2-phenylethanol 167.43
    styrene 79.3
    dioctyl adipate 101.97
    dimethyl sulfate 160.86
    ethyl butyrate 92.39
    methyl lactate 196.9
    butyl lactate 117.32
    diethyl carbonate 75.33
    propanediol butyl ether 313.65
    triethyl orthoformate 81.12
    p-tert-butyltoluene 37.83
    methyl 4-tert-butylbenzoate 134.35
    morpholine 1153.83
    tert-butylamine 595.68
    n-dodecanol 60.12
    dimethoxymethane 435.13
    ethylene carbonate 233.53
    cyrene 217.89
    2-ethoxyethyl acetate 134.47
    2-ethylhexyl acetate 98.45
    1,2,4-trichlorobenzene 150.57
    4-methylpyridine 375.71
    dibutyl ether 96.58
    2,6-dimethyl-4-heptanol 70.36
    DEF 386.01
    dimethyl isosorbide 268.93
    tetrachloroethylene 277.77
    eugenol 165.87
    triacetin 159.37
    span 80 209.33
    1,4-butanediol 529.11
    1,1-dichloroethane 240.36
    2-methyl-1-pentanol 371.42
    methyl formate 510.3
    2-methyl-1-butanol 525.51
    n-decane 12.8
    butyronitrile 429.77
    3,7-dimethyl-1-octanol 131.21
    1-chlorooctane 51.07
    1-chlorotetradecane 21.16
    n-nonane 12.02
    undecane 9.57
    tert-butylcyclohexane 20.16
    cyclooctane 9.11
    cyclopentanol 564.4
    tetrahydropyran 529.54
    tert-amyl methyl ether 238.77
    2,5,8-trioxanonane 391.61
    1-hexene 110.23
    2-isopropoxyethanol 409.75
    2,2,2-trifluoroethanol 438.09
    methyl butyrate 182.99

    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