5-Hydroxypentanoic acid

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  • Identifiers

    CAS number
    13392-69-3

    Molecular formula
    C5H10O3

    SMILES
    C(CCO)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.32%
    Sour 35.67%
    Cheesy 30.18%
    Fruity 29.11%
    Buttery 26.33%
    Alcoholic 25.67%
    Sharp 25.26%
    Milky 24.42%
    Ethereal 23.98%
    Sweet 23.82%

     

    Flavor
    Odorless 61.92%
    Sour 43.12%
    Acidic 37.72%
    Pungent 37.16%
    Rancid 36.88%
    Sweat 32.6%
    Cheese 29.39%
    Sweet 28.27%
    Vinegar 27.39%
    Sharp 25.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    7.27 (neutral)

    Molecular weight
    118.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 143.09 ˚C est.

  • Synonyms

    • 5-HYDROXYPENTANOIC ACID
    • 13392-69-3
    • 5-Hydroxyvaleric acid
    • Pentanoic acid, 5-hydroxy-
    • delta-Hydroxypentanoic acid
    • delta-hydroxyvaleric acid
    • H5EVV4LP59
    • CHEBI:45564
    • DTXSID10158420
    • RefChem:913460
    • DTXCID4080911
    • 5-hydroxy-pentanoic acid
    • 5-Hydroxy-pentansaeure
    • 5-hydroxy valeric acid
    • omega-hydroxyvaleric acid
    • 5-Hydroxy-valeriansaeure
    • 4-Oxy-butan-carbonsaeure
    • delta-hydrox yvaleric acid
    • MFCD06203224
    • omega-hydroxypentanoic acid
    • UMB58
    • delta-hydroxyvalerate
    • Omega-hydroxyvalerate
    • delta-Hydroxypentanoate
    • Omega-hydroxypentanoate
    • UNII-H5EVV4LP59
    • Valeric acid, 5-hydroxy-
    • 90% (10% lactone)
    • SCHEMBL28742
    • SCHEMBL66218
    • SCHEMBL94890
    • 5-HYDROXYPENTANOICACID
    • SCHEMBL130688
    • SCHEMBL183774
    • orb3027669
    • SCHEMBL6113331
    • CHEMBL1205948
    • SCHEMBL10406413
    • SCHEMBL10433488
    • SCHEMBL10607541
    • SCHEMBL11316214
    • 1w31
    • PHOJOSOUIAQEDH-UHFFFAOYSA-N
    • EBC-48180
    • LMFA01050010
    • PDSP1_000343
    • PDSP2_000341
    • AKOS009345410
    • DB04781
    • SB83906
    • BS-12875
    • NS00068519
    • EN300-64758
    • C02804
    • C72352
    • Q27095518
    • 131004-94-9
    • 13392-69-3

  • Applications

    5-Hydroxypentanoic acid is a bifunctional aliphatic carboxylic acid that is widely used as a synthetic intermediate to prepare delta-valerolactone by intramolecular cyclization; delta-valerolactone is a versatile solvent and a precursor for coatings, adhesives, and battery-electrolyte formulations, as well as a monomer for polyester and polyurethane polymers. The acid also serves as a platform for producing fragrance esters and aroma compounds used in perfumery, and functions as an intermediate in pharmaceutical and agrochemical synthesis. Additionally, it can be employed as a di-functional feedstock for specialty polymers and plasticizers via esterification, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 232.21
    methanol 532.75
    isopropanol 133.89
    water 331.02
    ethyl acetate 49.81
    n-propanol 134.2
    acetone 119.34
    n-butanol 107.19
    acetonitrile 33.23
    DMF 1209.07
    toluene 2.96
    isobutanol 75.49
    1,4-dioxane 220.57
    methyl acetate 37.02
    THF 222.89
    2-butanone 39.65
    n-pentanol 57.7
    sec-butanol 68.32
    n-hexane 2.18
    ethylene glycol 454.29
    NMP 704.14
    cyclohexane 3.14
    DMSO 955.45
    n-butyl acetate 29.0
    n-octanol 48.02
    chloroform 7.68
    n-propyl acetate 23.88
    acetic acid 493.23
    dichloromethane 15.91
    cyclohexanone 108.04
    propylene glycol 327.84
    isopropyl acetate 33.99
    DMAc 522.78
    2-ethoxyethanol 210.49
    isopentanol 69.04
    n-heptane 3.46
    ethyl formate 80.31
    1,2-dichloroethane 18.54
    n-hexanol 56.67
    2-methoxyethanol 539.62
    isobutyl acetate 14.44
    tetrachloromethane 2.31
    n-pentyl acetate 30.15
    transcutol 417.73
    n-heptanol 41.38
    ethylbenzene 3.46
    MIBK 31.96
    2-propoxyethanol 186.57
    tert-butanol 143.0
    MTBE 24.91
    2-butoxyethanol 122.38
    propionic acid 232.8
    o-xylene 7.43
    formic acid 642.21
    diethyl ether 24.43
    m-xylene 6.52
    p-xylene 4.8
    chlorobenzene 6.78
    dimethyl carbonate 51.31
    n-octane 1.85
    formamide 533.16
    cyclopentanone 165.05
    2-pentanone 50.71
    anisole 20.09
    cyclopentyl methyl ether 58.31
    gamma-butyrolactone 300.24
    1-methoxy-2-propanol 348.07
    pyridine 37.65
    3-pentanone 29.42
    furfural 236.89
    n-dodecane 2.05
    diethylene glycol 278.62
    diisopropyl ether 9.32
    tert-amyl alcohol 74.53
    acetylacetone 86.9
    n-hexadecane 2.18
    acetophenone 30.92
    methyl propionate 71.26
    isopentyl acetate 25.3
    trichloroethylene 24.13
    n-nonanol 42.58
    cyclohexanol 75.53
    benzyl alcohol 39.55
    2-ethylhexanol 25.48
    isooctanol 28.65
    dipropyl ether 24.59
    1,2-dichlorobenzene 10.32
    ethyl lactate 53.36
    propylene carbonate 127.13
    n-methylformamide 460.65
    2-pentanol 51.0
    n-pentane 2.42
    1-propoxy-2-propanol 121.67
    1-methoxy-2-propyl acetate 62.29
    2-(2-methoxypropoxy) propanol 114.33
    mesitylene 7.02
    ε-caprolactone 138.54
    p-cymene 6.75
    epichlorohydrin 142.07
    1,1,1-trichloroethane 6.24
    2-aminoethanol 436.15
    morpholine-4-carbaldehyde 558.23
    sulfolane 446.99
    2,2,4-trimethylpentane 1.85
    2-methyltetrahydrofuran 83.29
    n-hexyl acetate 50.33
    isooctane 1.82
    2-(2-butoxyethoxy)ethanol 185.4
    sec-butyl acetate 15.26
    tert-butyl acetate 38.54
    decalin 2.22
    glycerin 580.58
    diglyme 247.5
    acrylic acid 276.94
    isopropyl myristate 20.19
    n-butyric acid 195.65
    acetyl acetate 37.21
    di(2-ethylhexyl) phthalate 33.98
    ethyl propionate 29.26
    nitromethane 412.52
    1,2-diethoxyethane 48.2
    benzonitrile 25.36
    trioctyl phosphate 30.61
    1-bromopropane 6.18
    gamma-valerolactone 363.53
    n-decanol 32.96
    triethyl phosphate 19.51
    4-methyl-2-pentanol 30.12
    propionitrile 26.47
    vinylene carbonate 109.08
    1,1,2-trichlorotrifluoroethane 191.29
    DMS 46.12
    cumene 4.75
    2-octanol 23.2
    2-hexanone 21.84
    octyl acetate 32.76
    limonene 10.9
    1,2-dimethoxyethane 193.12
    ethyl orthosilicate 17.72
    tributyl phosphate 30.14
    diacetone alcohol 111.94
    N,N-dimethylaniline 23.79
    acrylonitrile 55.23
    aniline 21.96
    1,3-propanediol 367.54
    bromobenzene 4.11
    dibromomethane 7.67
    1,1,2,2-tetrachloroethane 25.05
    2-methyl-cyclohexyl acetate 26.18
    tetrabutyl urea 51.59
    diisobutyl methanol 19.15
    2-phenylethanol 34.7
    styrene 3.64
    dioctyl adipate 40.21
    dimethyl sulfate 121.26
    ethyl butyrate 26.76
    methyl lactate 145.86
    butyl lactate 56.74
    diethyl carbonate 17.87
    propanediol butyl ether 169.58
    triethyl orthoformate 25.19
    p-tert-butyltoluene 7.15
    methyl 4-tert-butylbenzoate 65.08
    morpholine 266.22
    tert-butylamine 45.78
    n-dodecanol 24.54
    dimethoxymethane 249.82
    ethylene carbonate 92.67
    cyrene 122.97
    2-ethoxyethyl acetate 48.37
    2-ethylhexyl acetate 17.14
    1,2,4-trichlorobenzene 14.42
    4-methylpyridine 32.27
    dibutyl ether 21.61
    2,6-dimethyl-4-heptanol 19.15
    DEF 165.13
    dimethyl isosorbide 141.01
    tetrachloroethylene 18.11
    eugenol 78.25
    triacetin 65.27
    span 80 130.29
    1,4-butanediol 155.87
    1,1-dichloroethane 7.43
    2-methyl-1-pentanol 38.6
    methyl formate 262.9
    2-methyl-1-butanol 59.62
    n-decane 2.86
    butyronitrile 30.9
    3,7-dimethyl-1-octanol 35.13
    1-chlorooctane 9.65
    1-chlorotetradecane 5.15
    n-nonane 2.61
    undecane 2.35
    tert-butylcyclohexane 2.14
    cyclooctane 1.78
    cyclopentanol 128.58
    tetrahydropyran 67.0
    tert-amyl methyl ether 22.69
    2,5,8-trioxanonane 196.96
    1-hexene 5.01
    2-isopropoxyethanol 101.0
    2,2,2-trifluoroethanol 192.51
    methyl butyrate 44.33

    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