Methyl 3-hydroxypentanoate

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  • Identifiers

    CAS number
    56009-31-5

    Molecular formula
    C6H12O3

    SMILES
    CCC(CC(=O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 94.19%
    Sweet 57.23%
    Green 54.21%
    Apple 49.6%
    Winey 47.42%
    Pineapple 44.78%
    Tropical 44.75%
    Ethereal 42.83%
    Fresh 42.63%
    Grape 37.3%

     

    Flavor
    Fruity 73.83%
    Sweet 49.79%
    Tropical 43.01%
    Bitter 36.13%
    Pineapple 35.98%
    Woody 33.54%
    Fruit 30.0%
    Floral 28.55%
    Berry 27.45%
    Ripe 26.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.57 (weak base)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    187°C

    Flash point

    • 74.93 ˚C est.

  • Synonyms

    • Methyl 3-hydroxypentanoate
    • 56009-31-5
    • DTXSID70337118
    • RefChem:157493
    • DTXCID60288206
    • 3-Hydroxyvaleric acid methyl ester
    • Pentanoic acid, 3-hydroxy-, methyl ester
    • (?)-Methyl (R)-3-hydroxyvalerate
    • Methyl3-hydroxypentanoate
    • methyl-3-hydroxy-pentanoate
    • Methyl 3-hydroxypentanoate #
    • SCHEMBL322745
    • MFCD18973046
    • SB45308
    • SB84502
    • DA-04874
    • DB-072855
    • C15994
    • EN300-1826464
    • 56009-31-5

  • Applications

    Methyl 3-hydroxypentanoate, CAS 56009-31-5, is the methyl ester of 3-hydroxypentanoic acid and is commonly used as an intermediate in organic synthesis: it serves as a building block for beta-hydroxy esters and for functional monomers and polyester derivatives; in the chemical and polymer sectors it is evaluated as a precursor for biodegradable polymers and modified polyesters; in fragrance and cosmetics it functions as a precursor to fragrance compounds and functional esters that influence texture or aroma in formulations; it may also be used as a starting material for pharmaceutical and agrochemical intermediates; and in some formulations it can act as a co-solvent or processing aid within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 528.18
    methanol 900.51
    isopropanol 411.28
    water 57.58
    ethyl acetate 48.78
    n-propanol 329.83
    acetone 151.47
    n-butanol 259.86
    acetonitrile 115.56
    DMF 743.29
    toluene 23.02
    isobutanol 214.76
    1,4-dioxane 356.3
    methyl acetate 88.44
    THF 296.83
    2-butanone 83.78
    n-pentanol 154.5
    sec-butanol 243.94
    n-hexane 5.34
    ethylene glycol 433.22
    NMP 337.66
    cyclohexane 12.85
    DMSO 521.86
    n-butyl acetate 28.28
    n-octanol 67.4
    chloroform 189.63
    n-propyl acetate 26.12
    acetic acid 354.57
    dichloromethane 160.26
    cyclohexanone 139.12
    propylene glycol 474.47
    isopropyl acetate 28.69
    DMAc 461.83
    2-ethoxyethanol 261.13
    isopentanol 158.5
    n-heptane 4.8
    ethyl formate 108.19
    1,2-dichloroethane 80.44
    n-hexanol 113.24
    2-methoxyethanol 675.79
    isobutyl acetate 20.53
    tetrachloromethane 29.77
    n-pentyl acetate 27.19
    transcutol 252.06
    n-heptanol 59.43
    ethylbenzene 18.78
    MIBK 41.63
    2-propoxyethanol 214.87
    tert-butanol 376.7
    MTBE 81.81
    2-butoxyethanol 111.24
    propionic acid 231.39
    o-xylene 32.92
    formic acid 300.83
    diethyl ether 49.22
    m-xylene 24.65
    p-xylene 27.57
    chlorobenzene 40.56
    dimethyl carbonate 33.69
    n-octane 2.72
    formamide 244.18
    cyclopentanone 161.31
    2-pentanone 55.57
    anisole 62.32
    cyclopentyl methyl ether 76.58
    gamma-butyrolactone 193.6
    1-methoxy-2-propanol 393.54
    pyridine 122.84
    3-pentanone 37.4
    furfural 237.62
    n-dodecane 3.45
    diethylene glycol 288.76
    diisopropyl ether 12.18
    tert-amyl alcohol 232.04
    acetylacetone 70.57
    n-hexadecane 3.84
    acetophenone 58.37
    methyl propionate 62.42
    isopentyl acetate 31.32
    trichloroethylene 151.88
    n-nonanol 56.01
    cyclohexanol 192.03
    benzyl alcohol 101.04
    2-ethylhexanol 52.46
    isooctanol 45.39
    dipropyl ether 24.79
    1,2-dichlorobenzene 46.46
    ethyl lactate 60.16
    propylene carbonate 103.58
    n-methylformamide 333.82
    2-pentanol 114.95
    n-pentane 6.31
    1-propoxy-2-propanol 117.84
    1-methoxy-2-propyl acetate 48.53
    2-(2-methoxypropoxy) propanol 109.5
    mesitylene 17.99
    ε-caprolactone 119.89
    p-cymene 17.46
    epichlorohydrin 179.73
    1,1,1-trichloroethane 66.84
    2-aminoethanol 537.12
    morpholine-4-carbaldehyde 385.05
    sulfolane 267.4
    2,2,4-trimethylpentane 5.85
    2-methyltetrahydrofuran 142.37
    n-hexyl acetate 50.87
    isooctane 4.05
    2-(2-butoxyethoxy)ethanol 137.75
    sec-butyl acetate 18.99
    tert-butyl acetate 37.81
    decalin 7.34
    glycerin 588.79
    diglyme 208.32
    acrylic acid 230.55
    isopropyl myristate 22.75
    n-butyric acid 197.91
    acetyl acetate 37.72
    di(2-ethylhexyl) phthalate 38.16
    ethyl propionate 28.3
    nitromethane 304.52
    1,2-diethoxyethane 43.88
    benzonitrile 80.04
    trioctyl phosphate 28.07
    1-bromopropane 40.23
    gamma-valerolactone 280.73
    n-decanol 41.58
    triethyl phosphate 28.83
    4-methyl-2-pentanol 58.52
    propionitrile 97.19
    vinylene carbonate 112.0
    1,1,2-trichlorotrifluoroethane 281.84
    DMS 37.33
    cumene 18.98
    2-octanol 38.87
    2-hexanone 38.96
    octyl acetate 32.14
    limonene 26.76
    1,2-dimethoxyethane 271.89
    ethyl orthosilicate 26.72
    tributyl phosphate 27.67
    diacetone alcohol 115.24
    N,N-dimethylaniline 55.75
    acrylonitrile 144.36
    aniline 87.28
    1,3-propanediol 509.61
    bromobenzene 31.81
    dibromomethane 89.67
    1,1,2,2-tetrachloroethane 155.71
    2-methyl-cyclohexyl acetate 36.15
    tetrabutyl urea 44.48
    diisobutyl methanol 29.56
    2-phenylethanol 73.31
    styrene 22.68
    dioctyl adipate 40.17
    dimethyl sulfate 78.93
    ethyl butyrate 26.84
    methyl lactate 117.29
    butyl lactate 48.07
    diethyl carbonate 25.2
    propanediol butyl ether 153.86
    triethyl orthoformate 27.45
    p-tert-butyltoluene 17.93
    methyl 4-tert-butylbenzoate 70.44
    morpholine 424.04
    tert-butylamine 169.89
    n-dodecanol 31.85
    dimethoxymethane 183.15
    ethylene carbonate 83.21
    cyrene 125.27
    2-ethoxyethyl acetate 39.16
    2-ethylhexyl acetate 22.88
    1,2,4-trichlorobenzene 60.01
    4-methylpyridine 114.67
    dibutyl ether 26.91
    2,6-dimethyl-4-heptanol 29.56
    DEF 131.08
    dimethyl isosorbide 126.07
    tetrachloroethylene 98.52
    eugenol 87.24
    triacetin 55.38
    span 80 110.75
    1,4-butanediol 229.4
    1,1-dichloroethane 79.4
    2-methyl-1-pentanol 108.52
    methyl formate 207.58
    2-methyl-1-butanol 154.56
    n-decane 4.98
    butyronitrile 110.44
    3,7-dimethyl-1-octanol 55.24
    1-chlorooctane 20.27
    1-chlorotetradecane 9.9
    n-nonane 4.55
    undecane 4.02
    tert-butylcyclohexane 7.23
    cyclooctane 3.91
    cyclopentanol 250.0
    tetrahydropyran 174.5
    tert-amyl methyl ether 60.35
    2,5,8-trioxanonane 169.08
    1-hexene 20.6
    2-isopropoxyethanol 134.63
    2,2,2-trifluoroethanol 132.22
    methyl butyrate 48.67

    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