Ethyl 3-hydroxypentanoate

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  • Identifiers

    CAS number
    54074-85-0

    Molecular formula
    C7H14O3

    SMILES
    CCC(CC(=O)OCC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 93.63%
    Sweet 55.88%
    Apple 52.74%
    Green 52.35%
    Winey 50.19%
    Pineapple 45.93%
    Fresh 45.27%
    Tropical 44.82%
    Grape 37.09%
    Ethereal 32.97%

     

    Flavor
    Fruity 84.92%
    Tropical 48.14%
    Pineapple 47.66%
    Sweet 44.5%
    Fruit 37.24%
    Grape 34.98%
    Bitter 34.36%
    Green 33.93%
    Berry 31.71%
    Ripe 30.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.7 (weak base)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    194°C

    Flash point

    • 79.65 ˚C est.

  • Synonyms

    • Ethyl 3-hydroxypentanoate
    • 54074-85-0
    • Pentanoic acid, 3-hydroxy-, ethyl ester
    • DTXSID40311809
    • RefChem:343452
    • DTXCID90262933
    • YESYELHMPYCIAQ-UHFFFAOYSA-N
    • 3-hydroxypentanoic acid ethyl ester
    • MFCD16749043
    • Ethyl3-hydroxypentanoate
    • ethyl 3-hydroxypentanate
    • Ethyl 3-hydroxypentanoate #
    • ETHYL 3-HYDROXYVALERATE
    • SCHEMBL1427228
    • SCHEMBL9543640
    • NSC245481
    • AKOS011683141
    • NSC-245481
    • DS-012140
    • D96332
    • EN300-224740
    • PENTANOIC ACID,3-HYDROXY-, ETHYL ESTER
    • 54074-85-0

  • Applications

    Ethyl 3-hydroxypentanoate (CAS 54074-85-0) is primarily used as a versatile intermediate in organic synthesis, enabling the preparation of chiral building blocks for pharmaceuticals and agrochemicals. It may function as a solvent or co-solvent in formulation processes, including cosmetics/personal care and in coatings and cleaners, where its solvent properties and the hydroxyl group support solubility and formulation flexibility. In polymer and materials applications, it can serve as a precursor or processing aid for specialty polyesters and related polymers, helping adjust viscosity and miscibility in formulations. Additionally, it may be employed as a fragrance intermediate in perfumery, contributing to fruity or green-note profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1412.38
    methanol 2478.79
    isopropanol 1170.68
    water 34.75
    ethyl acetate 176.48
    n-propanol 901.83
    acetone 582.93
    n-butanol 710.46
    acetonitrile 376.87
    DMF 1447.75
    toluene 61.0
    isobutanol 583.38
    1,4-dioxane 841.74
    methyl acetate 244.18
    THF 934.31
    2-butanone 263.04
    n-pentanol 415.73
    sec-butanol 668.81
    n-hexane 26.73
    ethylene glycol 676.15
    NMP 855.92
    cyclohexane 56.9
    DMSO 1198.53
    n-butyl acetate 108.9
    n-octanol 156.74
    chloroform 576.83
    n-propyl acetate 97.57
    acetic acid 1369.27
    dichloromethane 424.93
    cyclohexanone 461.82
    propylene glycol 815.18
    isopropyl acetate 109.78
    DMAc 843.15
    2-ethoxyethanol 547.71
    isopentanol 449.64
    n-heptane 14.71
    ethyl formate 245.86
    1,2-dichloroethane 239.74
    n-hexanol 318.51
    2-methoxyethanol 1330.52
    isobutyl acetate 70.94
    tetrachloromethane 71.1
    n-pentyl acetate 88.94
    transcutol 802.52
    n-heptanol 119.39
    ethylbenzene 45.93
    MIBK 120.02
    2-propoxyethanol 500.81
    tert-butanol 1068.36
    MTBE 273.05
    2-butoxyethanol 228.68
    propionic acid 630.82
    o-xylene 63.35
    formic acid 659.84
    diethyl ether 206.61
    m-xylene 56.14
    p-xylene 67.32
    chlorobenzene 124.93
    dimethyl carbonate 87.58
    n-octane 7.01
    formamide 517.86
    cyclopentanone 497.34
    2-pentanone 197.98
    anisole 134.46
    cyclopentyl methyl ether 250.62
    gamma-butyrolactone 601.33
    1-methoxy-2-propanol 766.29
    pyridine 329.35
    3-pentanone 126.89
    furfural 552.38
    n-dodecane 8.89
    diethylene glycol 557.22
    diisopropyl ether 45.91
    tert-amyl alcohol 638.82
    acetylacetone 221.81
    n-hexadecane 9.84
    acetophenone 133.56
    methyl propionate 178.77
    isopentyl acetate 104.94
    trichloroethylene 427.63
    n-nonanol 128.97
    cyclohexanol 530.42
    benzyl alcohol 198.24
    2-ethylhexanol 127.0
    isooctanol 91.96
    dipropyl ether 89.47
    1,2-dichlorobenzene 118.58
    ethyl lactate 124.88
    propylene carbonate 291.58
    n-methylformamide 659.23
    2-pentanol 345.06
    n-pentane 28.51
    1-propoxy-2-propanol 289.4
    1-methoxy-2-propyl acetate 141.25
    2-(2-methoxypropoxy) propanol 228.68
    mesitylene 42.39
    ε-caprolactone 383.23
    p-cymene 39.61
    epichlorohydrin 472.67
    1,1,1-trichloroethane 203.03
    2-aminoethanol 958.51
    morpholine-4-carbaldehyde 764.58
    sulfolane 702.73
    2,2,4-trimethylpentane 17.48
    2-methyltetrahydrofuran 480.61
    n-hexyl acetate 166.07
    isooctane 12.8
    2-(2-butoxyethoxy)ethanol 324.93
    sec-butyl acetate 67.77
    tert-butyl acetate 129.53
    decalin 22.71
    glycerin 911.1
    diglyme 476.75
    acrylic acid 564.81
    isopropyl myristate 63.78
    n-butyric acid 625.96
    acetyl acetate 135.89
    di(2-ethylhexyl) phthalate 91.21
    ethyl propionate 95.91
    nitromethane 971.93
    1,2-diethoxyethane 145.43
    benzonitrile 200.5
    trioctyl phosphate 68.84
    1-bromopropane 136.55
    gamma-valerolactone 730.65
    n-decanol 90.49
    triethyl phosphate 64.04
    4-methyl-2-pentanol 150.81
    propionitrile 297.52
    vinylene carbonate 289.68
    1,1,2-trichlorotrifluoroethane 563.22
    DMS 111.69
    cumene 42.65
    2-octanol 84.78
    2-hexanone 129.39
    octyl acetate 89.72
    limonene 65.36
    1,2-dimethoxyethane 702.29
    ethyl orthosilicate 61.31
    tributyl phosphate 75.82
    diacetone alcohol 273.52
    N,N-dimethylaniline 113.16
    acrylonitrile 367.19
    aniline 188.24
    1,3-propanediol 1016.36
    bromobenzene 98.56
    dibromomethane 263.31
    1,1,2,2-tetrachloroethane 434.69
    2-methyl-cyclohexyl acetate 95.37
    tetrabutyl urea 108.89
    diisobutyl methanol 72.94
    2-phenylethanol 153.31
    styrene 59.94
    dioctyl adipate 109.19
    dimethyl sulfate 172.75
    ethyl butyrate 86.07
    methyl lactate 225.57
    butyl lactate 118.97
    diethyl carbonate 75.14
    propanediol butyl ether 323.35
    triethyl orthoformate 77.73
    p-tert-butyltoluene 40.17
    methyl 4-tert-butylbenzoate 146.62
    morpholine 1040.66
    tert-butylamine 510.26
    n-dodecanol 67.81
    dimethoxymethane 419.93
    ethylene carbonate 230.25
    cyrene 231.1
    2-ethoxyethyl acetate 117.97
    2-ethylhexyl acetate 75.89
    1,2,4-trichlorobenzene 150.15
    4-methylpyridine 305.53
    dibutyl ether 88.96
    2,6-dimethyl-4-heptanol 72.94
    DEF 331.11
    dimethyl isosorbide 285.24
    tetrachloroethylene 273.24
    eugenol 166.8
    triacetin 160.56
    span 80 237.88
    1,4-butanediol 422.82
    1,1-dichloroethane 252.56
    2-methyl-1-pentanol 284.46
    methyl formate 405.71
    2-methyl-1-butanol 422.69
    n-decane 13.54
    butyronitrile 349.8
    3,7-dimethyl-1-octanol 130.04
    1-chlorooctane 54.81
    1-chlorotetradecane 25.14
    n-nonane 12.58
    undecane 10.48
    tert-butylcyclohexane 22.39
    cyclooctane 11.99
    cyclopentanol 658.85
    tetrahydropyran 579.84
    tert-amyl methyl ether 179.46
    2,5,8-trioxanonane 378.35
    1-hexene 93.25
    2-isopropoxyethanol 292.35
    2,2,2-trifluoroethanol 313.71
    methyl butyrate 153.2

    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