(+-)-2-Hydroxypentanoic acid

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  • Identifiers

    CAS number
    617-31-2

    Molecular formula
    C5H10O3

    SMILES
    CCCC(C(=O)O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 69.89%
    Buttery 61.04%
    Caramellic 57.57%
    Cheesy 43.82%
    Milky 41.75%
    Creamy 39.34%
    Sour 38.98%
    Sweet 38.91%
    Dairy 38.79%
    Fatty 30.88%

     

    Flavor
    Odorless 57.0%
    Sour 42.47%
    Acidic 37.78%
    Cheese 28.64%
    Sweet 27.86%
    Buttery 26.17%
    Sweat 24.67%
    Pungent 24.2%
    Caramel 23.01%
    Rancid 22.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.95 (neutral)

    Molecular weight
    118.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    223°C

    Melting point expt.

    • 34 °C

    Flash point

    • 112.0 ˚C est.

  • Synonyms

    • 2-Hydroxypentanoic acid
    • 617-31-2
    • (+-)-2-Hydroxypentanoic acid
    • CHEBI:60647
    • DTXSID00871792
    • RefChem:473481
    • DTXCID40819416
    • 210-509-1
    • 2-Hydroxyvaleric acid
    • 2-hydroxy-pentanoic acid
    • Pentanoic acid, 2-hydroxy-
    • MFCD00065002
    • DL-2-hydroxy valeric acid
    • 6450-97-1
    • 2-hydroxyvalericacid
    • Hydroxyvaleric acid
    • EINECS 210-509-1
    • 2-hydroxy-pentanoate
    • Pentanoic acid, 2-hydroxy-, (+-)-
    • 2-Hydroxypentanoicacid
    • alpha-hydroxyvaleric acid
    • AI3-06167
    • (+-)-2-Hydroxypentanoate
    • alpha-hydroxy-n-valeric acid
    • SCHEMBL28756
    • SCHEMBL564112
    • (RS)-2-hydroxypentanoic acid
    • orb2942854
    • SCHEMBL1005300
    • SCHEMBL6597188
    • SCHEMBL9116509
    • SCHEMBL10697487
    • JRHWHSJDIILJAT-UHFFFAOYSA-N
    • NSC67957
    • GEO-04489
    • LMFA01050007
    • NSC 67957
    • NSC-67957
    • AKOS002314268
    • AKOS016052424
    • AT31140
    • SB44328
    • FH164876
    • SY256681
    • DB-182273
    • NS00014671
    • EN300-219531
    • ( inverted exclamation markA)-2-Hydroxypentanoic acid
    • Q27128300
    • 617-31-2

  • Applications

    (+-)-2-Hydroxypentanoic acid (CAS 617-31-2) is a versatile intermediate in chemical synthesis, commonly used in pharmaceuticals as a platform for chiral building blocks in drug synthesis; it also serves as a precursor to esters, lactones, and other derivatives that support polymer and plastic material development. Additionally, it is regarded as a platform chemical for fragrance ingredients and cosmetic intermediates in the personal care sector, with derivatization used to prepare fragrance compounds and functional components for formulations. In industrial manufacturing, this is a versatile intermediate for many synthetic routes, with actual use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.05
    methanol 205.84
    isopropanol 69.94
    water 110.46
    ethyl acetate 19.16
    n-propanol 51.74
    acetone 34.42
    n-butanol 36.92
    acetonitrile 12.2
    DMF 185.62
    toluene 2.81
    isobutanol 41.71
    1,4-dioxane 66.22
    methyl acetate 22.96
    THF 81.41
    2-butanone 20.01
    n-pentanol 33.62
    sec-butanol 47.9
    n-hexane 1.93
    ethylene glycol 280.34
    NMP 211.29
    cyclohexane 2.15
    DMSO 470.37
    n-butyl acetate 24.48
    n-octanol 31.07
    chloroform 9.47
    n-propyl acetate 14.23
    acetic acid 170.26
    dichloromethane 10.98
    cyclohexanone 46.41
    propylene glycol 169.88
    isopropyl acetate 16.71
    DMAc 173.67
    2-ethoxyethanol 128.51
    isopentanol 44.55
    n-heptane 2.89
    ethyl formate 29.81
    1,2-dichloroethane 13.35
    n-hexanol 60.43
    2-methoxyethanol 220.84
    isobutyl acetate 9.93
    tetrachloromethane 4.85
    n-pentyl acetate 20.87
    transcutol 200.69
    n-heptanol 40.14
    ethylbenzene 4.88
    MIBK 23.55
    2-propoxyethanol 150.55
    tert-butanol 123.2
    MTBE 29.94
    2-butoxyethanol 91.48
    propionic acid 88.01
    o-xylene 8.59
    formic acid 291.54
    diethyl ether 9.64
    m-xylene 7.05
    p-xylene 6.06
    chlorobenzene 6.43
    dimethyl carbonate 14.03
    n-octane 1.9
    formamide 197.26
    cyclopentanone 61.11
    2-pentanone 19.77
    anisole 16.03
    cyclopentyl methyl ether 25.31
    gamma-butyrolactone 104.26
    1-methoxy-2-propanol 142.16
    pyridine 15.61
    3-pentanone 12.51
    furfural 109.55
    n-dodecane 1.94
    diethylene glycol 231.71
    diisopropyl ether 7.98
    tert-amyl alcohol 96.38
    acetylacetone 45.02
    n-hexadecane 2.04
    acetophenone 25.29
    methyl propionate 22.65
    isopentyl acetate 27.34
    trichloroethylene 21.93
    n-nonanol 28.25
    cyclohexanol 40.97
    benzyl alcohol 32.27
    2-ethylhexanol 31.2
    isooctanol 34.53
    dipropyl ether 12.46
    1,2-dichlorobenzene 11.78
    ethyl lactate 34.69
    propylene carbonate 51.02
    n-methylformamide 102.22
    2-pentanol 29.17
    n-pentane 1.42
    1-propoxy-2-propanol 95.28
    1-methoxy-2-propyl acetate 44.99
    2-(2-methoxypropoxy) propanol 92.08
    mesitylene 8.39
    ε-caprolactone 57.31
    p-cymene 9.61
    epichlorohydrin 63.68
    1,1,1-trichloroethane 8.49
    2-aminoethanol 231.69
    morpholine-4-carbaldehyde 175.98
    sulfolane 228.1
    2,2,4-trimethylpentane 2.73
    2-methyltetrahydrofuran 42.61
    n-hexyl acetate 32.45
    isooctane 2.65
    2-(2-butoxyethoxy)ethanol 123.5
    sec-butyl acetate 11.49
    tert-butyl acetate 31.89
    decalin 2.93
    glycerin 286.87
    diglyme 158.26
    acrylic acid 104.53
    isopropyl myristate 15.66
    n-butyric acid 65.68
    acetyl acetate 15.76
    di(2-ethylhexyl) phthalate 28.17
    ethyl propionate 12.75
    nitromethane 121.69
    1,2-diethoxyethane 26.94
    benzonitrile 18.01
    trioctyl phosphate 25.21
    1-bromopropane 4.42
    gamma-valerolactone 120.48
    n-decanol 23.81
    triethyl phosphate 16.35
    4-methyl-2-pentanol 30.12
    propionitrile 9.27
    vinylene carbonate 40.71
    1,1,2-trichlorotrifluoroethane 132.6
    DMS 24.92
    cumene 7.33
    2-octanol 23.55
    2-hexanone 15.75
    octyl acetate 23.95
    limonene 13.1
    1,2-dimethoxyethane 91.79
    ethyl orthosilicate 15.04
    tributyl phosphate 22.01
    diacetone alcohol 96.76
    N,N-dimethylaniline 21.17
    acrylonitrile 19.52
    aniline 12.75
    1,3-propanediol 168.56
    bromobenzene 4.81
    dibromomethane 7.05
    1,1,2,2-tetrachloroethane 28.91
    2-methyl-cyclohexyl acetate 24.47
    tetrabutyl urea 32.61
    diisobutyl methanol 23.06
    2-phenylethanol 40.57
    styrene 4.18
    dioctyl adipate 25.84
    dimethyl sulfate 49.8
    ethyl butyrate 16.92
    methyl lactate 62.43
    butyl lactate 38.17
    diethyl carbonate 11.5
    propanediol butyl ether 102.11
    triethyl orthoformate 15.37
    p-tert-butyltoluene 10.79
    methyl 4-tert-butylbenzoate 51.99
    morpholine 71.15
    tert-butylamine 44.67
    n-dodecanol 19.19
    dimethoxymethane 58.52
    ethylene carbonate 29.99
    cyrene 90.67
    2-ethoxyethyl acetate 32.4
    2-ethylhexyl acetate 17.34
    1,2,4-trichlorobenzene 15.8
    4-methylpyridine 14.82
    dibutyl ether 10.33
    2,6-dimethyl-4-heptanol 23.06
    DEF 46.28
    dimethyl isosorbide 112.24
    tetrachloroethylene 27.37
    eugenol 67.21
    triacetin 36.46
    span 80 85.88
    1,4-butanediol 117.54
    1,1-dichloroethane 6.34
    2-methyl-1-pentanol 40.11
    methyl formate 73.5
    2-methyl-1-butanol 37.47
    n-decane 2.48
    butyronitrile 9.61
    3,7-dimethyl-1-octanol 30.56
    1-chlorooctane 8.43
    1-chlorotetradecane 4.85
    n-nonane 2.26
    undecane 2.16
    tert-butylcyclohexane 3.31
    cyclooctane 1.62
    cyclopentanol 62.45
    tetrahydropyran 19.86
    tert-amyl methyl ether 26.62
    2,5,8-trioxanonane 144.67
    1-hexene 4.13
    2-isopropoxyethanol 79.04
    2,2,2-trifluoroethanol 77.58
    methyl butyrate 22.03

    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