Butanoic acid, 4-hydroxy-, methyl ester

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  • Identifiers

    CAS number
    925-57-5

    Molecular formula
    C5H10O3

    SMILES
    COC(=O)CCCO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 64.97%
    Ethereal 57.2%
    Caramellic 47.94%
    Winey 43.82%
    Sweet 39.01%
    Fermented 33.72%
    Alcoholic 32.75%
    Buttery 31.97%
    Rummy 31.55%
    Solvent 29.2%

     

    Flavor
    Fruity 72.19%
    Sweet 70.55%
    Pineapple 44.1%
    Fruit 42.78%
    Bitter 42.4%
    Musty 36.31%
    Green 35.9%
    Tropical 33.76%
    Rum 31.75%
    Grape 31.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.96 (neutral)

    Molecular weight
    118.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    210°C

    Flash point

    • 85.16 ˚C est.

  • Synonyms

    • 925-57-5
    • Butanoic acid, 4-hydroxy-, methyl ester
    • DTXSID10239021
    • RefChem:1080345
    • DTXCID30161512
    • Methyl 4-hydroxybutanoate
    • 4-HYDROXYBUTYRIC ACID METHYL ESTER
    • 4-HYDROXYBUTANOIC ACID METHYL ESTER
    • 4-hydroxy-butyric acid methyl ester
    • MFCD12025144
    • 4-Hydroxybutyric Acid Methyl Ester (>80%)
    • Piracetam Impurity N2
    • methyl 4-hydroxybutyrate
    • methyl-4-hydroxybutyrate
    • Methyl ?-hydroxybutyrate
    • SCHEMBL93694
    • SCHEMBL93695
    • SCHEMBL3633937
    • SCHEMBL4286841
    • SCHEMBL7296794
    • XH1519
    • AKOS009489518
    • AB11798
    • AB65249
    • FH177360
    • SY268958
    • methyl (r)-3-hydroxy-2-methyl propanoate
    • DB-305948
    • InChI=1/C5H10O3/c1-8-5(7)3-2-4-6/h6H,2-4H2,1H
    • 925-57-5

  • Applications

    Butanoic acid, 4-hydroxy-, methyl ester (CAS 925-57-5) is used primarily as an organic-synthesis intermediate and as a functional building block in polymer and coating formulations. It serves as a precursor for polyesters and polyurethane crosslinkers due to its hydroxyl functionality, enabling chain extension or end-capping reactions. In fragrance and cosmetics, it can act as an odorant or fragrance ingredient and as a reactive intermediate for aroma compound synthesis. It may also function as a processing aid or plasticizer in polymer systems and as a solvent for actives in formulated products, subject to regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 872.36
    methanol 1701.43
    isopropanol 599.37
    water 260.32
    ethyl acetate 143.32
    n-propanol 551.44
    acetone 374.84
    n-butanol 411.41
    acetonitrile 612.77
    DMF 1061.11
    toluene 39.48
    isobutanol 356.48
    1,4-dioxane 590.26
    methyl acetate 250.61
    THF 419.91
    2-butanone 221.8
    n-pentanol 239.68
    sec-butanol 404.1
    n-hexane 10.67
    ethylene glycol 484.98
    NMP 693.19
    cyclohexane 23.25
    DMSO 1143.05
    n-butyl acetate 59.57
    n-octanol 99.84
    chloroform 358.6
    n-propyl acetate 82.31
    acetic acid 1052.16
    dichloromethane 596.67
    cyclohexanone 281.14
    propylene glycol 359.2
    isopropyl acetate 67.03
    DMAc 811.83
    2-ethoxyethanol 500.56
    isopentanol 255.89
    n-heptane 10.78
    ethyl formate 298.74
    1,2-dichloroethane 274.42
    n-hexanol 120.54
    2-methoxyethanol 903.37
    isobutyl acetate 45.94
    tetrachloromethane 57.17
    n-pentyl acetate 57.92
    transcutol 478.15
    n-heptanol 80.53
    ethylbenzene 30.91
    MIBK 71.94
    2-propoxyethanol 237.0
    tert-butanol 595.62
    MTBE 187.18
    2-butoxyethanol 173.11
    propionic acid 472.6
    o-xylene 51.15
    formic acid 987.14
    diethyl ether 140.61
    m-xylene 34.6
    p-xylene 48.49
    chlorobenzene 84.68
    dimethyl carbonate 65.96
    n-octane 6.67
    formamide 1061.96
    cyclopentanone 351.53
    2-pentanone 126.9
    anisole 113.24
    cyclopentyl methyl ether 136.95
    gamma-butyrolactone 490.41
    1-methoxy-2-propanol 425.5
    pyridine 294.61
    3-pentanone 90.94
    furfural 512.6
    n-dodecane 6.48
    diethylene glycol 291.8
    diisopropyl ether 28.89
    tert-amyl alcohol 425.65
    acetylacetone 133.81
    n-hexadecane 6.9
    acetophenone 114.04
    methyl propionate 135.78
    isopentyl acetate 57.13
    trichloroethylene 425.18
    n-nonanol 80.06
    cyclohexanol 248.63
    benzyl alcohol 156.2
    2-ethylhexanol 68.0
    isooctanol 66.23
    dipropyl ether 54.31
    1,2-dichlorobenzene 89.89
    ethyl lactate 80.45
    propylene carbonate 209.41
    n-methylformamide 737.8
    2-pentanol 180.71
    n-pentane 15.83
    1-propoxy-2-propanol 136.41
    1-methoxy-2-propyl acetate 62.88
    2-(2-methoxypropoxy) propanol 147.9
    mesitylene 25.12
    ε-caprolactone 245.82
    p-cymene 25.34
    epichlorohydrin 463.01
    1,1,1-trichloroethane 145.34
    2-aminoethanol 687.59
    morpholine-4-carbaldehyde 678.37
    sulfolane 586.04
    2,2,4-trimethylpentane 11.8
    2-methyltetrahydrofuran 317.86
    n-hexyl acetate 91.46
    isooctane 6.38
    2-(2-butoxyethoxy)ethanol 192.12
    sec-butyl acetate 46.98
    tert-butyl acetate 69.97
    decalin 11.12
    glycerin 517.51
    diglyme 367.01
    acrylic acid 468.36
    isopropyl myristate 37.78
    n-butyric acid 413.73
    acetyl acetate 96.94
    di(2-ethylhexyl) phthalate 54.95
    ethyl propionate 75.07
    nitromethane 1100.75
    1,2-diethoxyethane 110.57
    benzonitrile 173.16
    trioctyl phosphate 42.24
    1-bromopropane 125.4
    gamma-valerolactone 495.24
    n-decanol 57.41
    triethyl phosphate 45.64
    4-methyl-2-pentanol 83.55
    propionitrile 310.84
    vinylene carbonate 235.35
    1,1,2-trichlorotrifluoroethane 430.62
    DMS 65.25
    cumene 29.22
    2-octanol 57.03
    2-hexanone 92.14
    octyl acetate 54.27
    limonene 39.58
    1,2-dimethoxyethane 562.27
    ethyl orthosilicate 43.84
    tributyl phosphate 47.19
    diacetone alcohol 149.48
    N,N-dimethylaniline 94.71
    acrylonitrile 446.98
    aniline 148.18
    1,3-propanediol 685.03
    bromobenzene 65.11
    dibromomethane 273.61
    1,1,2,2-tetrachloroethane 301.51
    2-methyl-cyclohexyl acetate 60.51
    tetrabutyl urea 70.8
    diisobutyl methanol 41.07
    2-phenylethanol 90.76
    styrene 41.45
    dioctyl adipate 69.79
    dimethyl sulfate 142.57
    ethyl butyrate 66.74
    methyl lactate 144.61
    butyl lactate 73.27
    diethyl carbonate 52.26
    propanediol butyl ether 167.88
    triethyl orthoformate 55.99
    p-tert-butyltoluene 23.79
    methyl 4-tert-butylbenzoate 107.25
    morpholine 664.55
    tert-butylamine 300.11
    n-dodecanol 43.96
    dimethoxymethane 296.59
    ethylene carbonate 183.12
    cyrene 163.8
    2-ethoxyethyl acetate 80.18
    2-ethylhexyl acetate 40.99
    1,2,4-trichlorobenzene 111.4
    4-methylpyridine 254.92
    dibutyl ether 60.7
    2,6-dimethyl-4-heptanol 41.07
    DEF 290.17
    dimethyl isosorbide 193.96
    tetrachloroethylene 212.34
    eugenol 129.05
    triacetin 105.61
    span 80 124.71
    1,4-butanediol 314.32
    1,1-dichloroethane 220.86
    2-methyl-1-pentanol 186.82
    methyl formate 449.81
    2-methyl-1-butanol 275.95
    n-decane 9.78
    butyronitrile 322.22
    3,7-dimethyl-1-octanol 80.1
    1-chlorooctane 37.54
    1-chlorotetradecane 16.19
    n-nonane 9.65
    undecane 7.52
    tert-butylcyclohexane 10.8
    cyclooctane 7.52
    cyclopentanol 357.27
    tetrahydropyran 316.7
    tert-amyl methyl ether 133.19
    2,5,8-trioxanonane 268.55
    1-hexene 40.6
    2-isopropoxyethanol 239.32
    2,2,2-trifluoroethanol 389.23
    methyl butyrate 140.59

    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