Pentanoic acid, 5-hydroxy-, methyl ester

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  • Identifiers

    CAS number
    14273-92-8

    Molecular formula
    C6H12O3

    SMILES
    COC(=O)CCCCO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.66%
    Ethereal 51.17%
    Sweet 42.19%
    Winey 40.03%
    Caramellic 32.99%
    Fermented 32.05%
    Alcoholic 30.69%
    Oily 30.41%
    Solvent 28.66%
    Pungent 27.61%

     

    Flavor
    Fruity 72.14%
    Sweet 67.85%
    Pineapple 50.86%
    Fruit 46.09%
    Bitter 41.73%
    Tropical 35.9%
    Green 35.72%
    Musty 33.93%
    Rum 32.97%
    Alcoholic 31.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.3 (weak base)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    225°C

    Flash point

    • 96.28 ˚C est.

  • Synonyms

    • 14273-92-8
    • Pentanoic acid, 5-hydroxy-, methyl ester
    • DTXSID30162145
    • RefChem:1094529
    • DTXCID6084636
    • Methyl 5-hydroxypentanoate
    • Pentanoic acid,5-hydroxy-, methyl ester
    • 5-Hydroxypentanoic Acid Methyl Ester
    • methyl 5-hydroxyvalerate
    • MFCD13689062
    • 5-hydroxy-pentanoic acid methyl ester
    • SCHEMBL429683
    • SCHEMBL2079405
    • AKOS024264144
    • BS-42348
    • DA-32302
    • FM177369
    • SY342853
    • CS-0021769
    • E87021
    • 273M928
    • F601247
    • 14273-92-8

  • Applications

    Pentanoic acid, 5-hydroxy-, methyl ester (CAS 14273-92-8) is a versatile intermediate and feedstock in industrial synthesis. In the polymer and coatings space, it can serve as a building block for polyols used in the production of polyesters and polyurethanes via its hydroxyl functionality. It may also act as a precursor to gamma-valerolactone, a solvent of interest in green chemistry. In fragrance and cosmetics, this compound can be employed as an aroma ingredient or as a starting material for other fragrance-related compounds. With its remaining hydroxyl group, it can participate in formulations for coating resins, adhesives, or as a reactive intermediate in polyurethane formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1625.01
    methanol 3957.11
    isopropanol 862.75
    water 144.16
    ethyl acetate 211.83
    n-propanol 868.53
    acetone 906.59
    n-butanol 618.67
    acetonitrile 605.8
    DMF 2640.8
    toluene 37.97
    isobutanol 486.79
    1,4-dioxane 732.21
    methyl acetate 270.24
    THF 894.7
    2-butanone 325.86
    n-pentanol 334.21
    sec-butanol 471.68
    n-hexane 10.43
    ethylene glycol 804.48
    NMP 1433.7
    cyclohexane 18.82
    DMSO 3093.06
    n-butyl acetate 119.71
    n-octanol 93.33
    chloroform 299.4
    n-propyl acetate 145.54
    acetic acid 2821.53
    dichloromethane 435.14
    cyclohexanone 528.8
    propylene glycol 700.23
    isopropyl acetate 102.39
    DMAc 1056.04
    2-ethoxyethanol 688.83
    isopentanol 360.06
    n-heptane 7.44
    ethyl formate 371.32
    1,2-dichloroethane 276.07
    n-hexanol 167.5
    2-methoxyethanol 1579.18
    isobutyl acetate 79.96
    tetrachloromethane 50.04
    n-pentyl acetate 88.39
    transcutol 1223.1
    n-heptanol 78.47
    ethylbenzene 27.49
    MIBK 120.57
    2-propoxyethanol 352.14
    tert-butanol 799.38
    MTBE 203.68
    2-butoxyethanol 201.88
    propionic acid 946.61
    o-xylene 44.49
    formic acid 2602.96
    diethyl ether 162.55
    m-xylene 36.94
    p-xylene 44.96
    chlorobenzene 104.73
    dimethyl carbonate 104.9
    n-octane 3.37
    formamide 2434.84
    cyclopentanone 788.64
    2-pentanone 235.19
    anisole 118.65
    cyclopentyl methyl ether 233.67
    gamma-butyrolactone 1050.58
    1-methoxy-2-propanol 725.64
    pyridine 399.03
    3-pentanone 128.11
    furfural 923.04
    n-dodecane 3.27
    diethylene glycol 470.11
    diisopropyl ether 29.43
    tert-amyl alcohol 479.55
    acetylacetone 272.87
    n-hexadecane 3.66
    acetophenone 146.21
    methyl propionate 207.82
    isopentyl acetate 100.78
    trichloroethylene 495.82
    n-nonanol 73.1
    cyclohexanol 385.64
    benzyl alcohol 189.68
    2-ethylhexanol 78.44
    isooctanol 63.13
    dipropyl ether 55.89
    1,2-dichlorobenzene 109.22
    ethyl lactate 123.57
    propylene carbonate 383.49
    n-methylformamide 1631.85
    2-pentanol 238.56
    n-pentane 11.9
    1-propoxy-2-propanol 206.9
    1-methoxy-2-propyl acetate 123.98
    2-(2-methoxypropoxy) propanol 206.38
    mesitylene 28.14
    ε-caprolactone 435.53
    p-cymene 24.32
    epichlorohydrin 670.96
    1,1,1-trichloroethane 132.66
    2-aminoethanol 1224.37
    morpholine-4-carbaldehyde 989.05
    sulfolane 1246.77
    2,2,4-trimethylpentane 9.14
    2-methyltetrahydrofuran 502.1
    n-hexyl acetate 140.43
    isooctane 5.48
    2-(2-butoxyethoxy)ethanol 289.65
    sec-butyl acetate 71.88
    tert-butyl acetate 118.09
    decalin 9.47
    glycerin 990.58
    diglyme 538.94
    acrylic acid 1046.36
    isopropyl myristate 41.49
    n-butyric acid 781.61
    acetyl acetate 149.79
    di(2-ethylhexyl) phthalate 71.12
    ethyl propionate 103.59
    nitromethane 2473.14
    1,2-diethoxyethane 156.47
    benzonitrile 211.42
    trioctyl phosphate 50.28
    1-bromopropane 92.25
    gamma-valerolactone 950.13
    n-decanol 49.25
    triethyl phosphate 58.16
    4-methyl-2-pentanol 100.28
    propionitrile 330.16
    vinylene carbonate 394.56
    1,1,2-trichlorotrifluoroethane 740.03
    DMS 113.59
    cumene 25.35
    2-octanol 50.44
    2-hexanone 155.58
    octyl acetate 61.62
    limonene 40.9
    1,2-dimethoxyethane 684.27
    ethyl orthosilicate 52.37
    tributyl phosphate 65.24
    diacetone alcohol 251.64
    N,N-dimethylaniline 97.21
    acrylonitrile 531.67
    aniline 191.6
    1,3-propanediol 1146.23
    bromobenzene 73.68
    dibromomethane 209.8
    1,1,2,2-tetrachloroethane 356.08
    2-methyl-cyclohexyl acetate 83.22
    tetrabutyl urea 90.35
    diisobutyl methanol 43.87
    2-phenylethanol 111.93
    styrene 40.74
    dioctyl adipate 90.67
    dimethyl sulfate 266.03
    ethyl butyrate 86.55
    methyl lactate 233.74
    butyl lactate 123.1
    diethyl carbonate 65.06
    propanediol butyl ether 289.61
    triethyl orthoformate 72.11
    p-tert-butyltoluene 23.09
    methyl 4-tert-butylbenzoate 134.93
    morpholine 1042.35
    tert-butylamine 338.82
    n-dodecanol 35.07
    dimethoxymethane 477.37
    ethylene carbonate 290.31
    cyrene 243.71
    2-ethoxyethyl acetate 138.88
    2-ethylhexyl acetate 70.03
    1,2,4-trichlorobenzene 140.24
    4-methylpyridine 328.15
    dibutyl ether 62.63
    2,6-dimethyl-4-heptanol 43.87
    DEF 430.86
    dimethyl isosorbide 264.12
    tetrachloroethylene 287.29
    eugenol 156.93
    triacetin 173.21
    span 80 186.78
    1,4-butanediol 431.8
    1,1-dichloroethane 173.67
    2-methyl-1-pentanol 232.08
    methyl formate 854.3
    2-methyl-1-butanol 347.47
    n-decane 5.41
    butyronitrile 343.15
    3,7-dimethyl-1-octanol 81.22
    1-chlorooctane 30.48
    1-chlorotetradecane 11.22
    n-nonane 5.17
    undecane 3.98
    tert-butylcyclohexane 9.16
    cyclooctane 5.28
    cyclopentanol 575.99
    tetrahydropyran 457.64
    tert-amyl methyl ether 135.84
    2,5,8-trioxanonane 359.57
    1-hexene 42.22
    2-isopropoxyethanol 299.35
    2,2,2-trifluoroethanol 717.51
    methyl butyrate 205.95

    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