2-Hydroxy-3-methylpentanoic acid

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  • Identifiers

    CAS number
    488-15-3

    Molecular formula
    C6H12O3

    SMILES
    CCC(C)C(C(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 88.56%
    Buttery 49.8%
    Cheesy 44.96%
    Caramellic 35.31%
    Dairy 34.17%
    Milky 33.73%
    Creamy 32.42%
    Sour 29.98%
    Berry 24.95%
    Odorless 23.72%

     

    Flavor
    Odorless 47.53%
    Fruity 46.85%
    Sour 34.63%
    Acidic 29.21%
    Cheese 26.51%
    Buttery 22.86%
    Sweet 22.51%
    Roquefort cheese 21.33%
    Stinky 20.55%
    Sweet-like 20.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.91 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    226°C

    Flash point

    • 113.16 ˚C est.

  • Synonyms

    • 2-hydroxy-3-methylpentanoic acid
    • 488-15-3
    • 2-Hydroxy-3-methylvaleric acid
    • Pentanoic acid, 2-hydroxy-3-methyl-
    • EINECS 207-671-0
    • CHEBI:133083
    • DTXSID70862016
    • alpha-hydroxy-beta-methylpentanoic acid
    • Pentanoic acid, 2-hydroxy-3-methyl-, (2R,3R)-rel-
    • 2-hydroxy-3-methylpentanoicacid
    • 2-Hydroxy-3-methylpentanoic Acid (Mixture of Diastereomers)
    • alpha-hydroxy-beta-methylvaleric acid
    • MFCD00137297
    • 2-Hydroxy-3-methylvaleric Acid; alpha-Hydroxy-beta-methylvaleric Acid
    • SCHEMBL458648
    • DTXCID40203836
    • AAA48815
    • JCA65335
    • alpha-hydroxy-3-methylpentanoic acid
    • MFCD09743379
    • MFCD14624640
    • AKOS010573953
    • SB46895
    • BS-12495
    • SY075986
    • SY275536
    • DB-228103
    • CS-0059541
    • NS00042407
    • EN300-100780
    • G49560

  • Applications

    2-Hydroxy-3-methylpentanoic acid (CAS 488-15-3) is primarily used as an intermediate in organic synthesis, serving as a chiral building block for pharmaceutical and agrochemical molecules; it is a precursor to esters and related derivatives that find use in fragrance and flavor applications; it can act as a monomer or comonomer in specialty polyesters and other polymers; and it serves as a substrate for enzyme-catalyzed transformations and other synthetic research, supporting development work in chemical, materials, and biotech contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.11
    methanol 80.79
    isopropanol 42.03
    water 37.04
    ethyl acetate 12.67
    n-propanol 23.04
    acetone 7.66
    n-butanol 14.05
    acetonitrile 7.26
    DMF 33.28
    toluene 2.02
    isobutanol 26.43
    1,4-dioxane 55.16
    methyl acetate 22.84
    THF 53.36
    2-butanone 12.94
    n-pentanol 17.46
    sec-butanol 31.75
    n-hexane 1.26
    ethylene glycol 134.25
    NMP 123.87
    cyclohexane 1.58
    DMSO 175.13
    n-butyl acetate 18.89
    n-octanol 23.13
    chloroform 8.79
    n-propyl acetate 8.75
    acetic acid 101.15
    dichloromethane 7.76
    cyclohexanone 31.41
    propylene glycol 89.65
    isopropyl acetate 11.6
    DMAc 65.12
    2-ethoxyethanol 78.21
    isopentanol 24.57
    n-heptane 1.91
    ethyl formate 13.45
    1,2-dichloroethane 8.06
    n-hexanol 49.03
    2-methoxyethanol 105.24
    isobutyl acetate 6.87
    tetrachloromethane 5.81
    n-pentyl acetate 15.86
    transcutol 144.01
    n-heptanol 33.7
    ethylbenzene 3.66
    MIBK 15.18
    2-propoxyethanol 110.71
    tert-butanol 91.1
    MTBE 22.82
    2-butoxyethanol 67.46
    propionic acid 65.72
    o-xylene 6.44
    formic acid 172.55
    diethyl ether 5.39
    m-xylene 5.35
    p-xylene 4.99
    chlorobenzene 5.18
    dimethyl carbonate 7.52
    n-octane 1.33
    formamide 111.36
    cyclopentanone 38.26
    2-pentanone 8.78
    anisole 11.17
    cyclopentyl methyl ether 19.47
    gamma-butyrolactone 77.81
    1-methoxy-2-propanol 76.55
    pyridine 9.95
    3-pentanone 7.37
    furfural 73.41
    n-dodecane 1.33
    diethylene glycol 168.49
    diisopropyl ether 5.78
    tert-amyl alcohol 78.31
    acetylacetone 23.24
    n-hexadecane 1.4
    acetophenone 17.56
    methyl propionate 14.42
    isopentyl acetate 24.01
    trichloroethylene 17.16
    n-nonanol 21.14
    cyclohexanol 29.12
    benzyl alcohol 21.62
    2-ethylhexanol 28.08
    isooctanol 31.89
    dipropyl ether 8.04
    1,2-dichlorobenzene 10.4
    ethyl lactate 20.15
    propylene carbonate 38.2
    n-methylformamide 32.51
    2-pentanol 16.97
    n-pentane 0.79
    1-propoxy-2-propanol 70.38
    1-methoxy-2-propyl acetate 36.12
    2-(2-methoxypropoxy) propanol 68.53
    mesitylene 6.18
    ε-caprolactone 43.99
    p-cymene 8.25
    epichlorohydrin 48.39
    1,1,1-trichloroethane 8.05
    2-aminoethanol 115.06
    morpholine-4-carbaldehyde 102.25
    sulfolane 193.55
    2,2,4-trimethylpentane 2.35
    2-methyltetrahydrofuran 39.39
    n-hexyl acetate 24.47
    isooctane 2.18
    2-(2-butoxyethoxy)ethanol 91.84
    sec-butyl acetate 8.76
    tert-butyl acetate 24.73
    decalin 2.38
    glycerin 172.94
    diglyme 110.83
    acrylic acid 69.65
    isopropyl myristate 11.73
    n-butyric acid 37.02
    acetyl acetate 11.26
    di(2-ethylhexyl) phthalate 21.34
    ethyl propionate 8.2
    nitromethane 61.31
    1,2-diethoxyethane 18.81
    benzonitrile 11.74
    trioctyl phosphate 19.24
    1-bromopropane 2.81
    gamma-valerolactone 78.63
    n-decanol 16.8
    triethyl phosphate 12.14
    4-methyl-2-pentanol 20.57
    propionitrile 5.71
    vinylene carbonate 27.68
    1,1,2-trichlorotrifluoroethane 96.12
    DMS 19.46
    cumene 6.0
    2-octanol 19.61
    2-hexanone 8.81
    octyl acetate 17.44
    limonene 11.17
    1,2-dimethoxyethane 46.51
    ethyl orthosilicate 11.49
    tributyl phosphate 16.24
    diacetone alcohol 72.25
    N,N-dimethylaniline 14.14
    acrylonitrile 10.22
    aniline 8.6
    1,3-propanediol 91.8
    bromobenzene 3.97
    dibromomethane 5.02
    1,1,2,2-tetrachloroethane 23.15
    2-methyl-cyclohexyl acetate 22.66
    tetrabutyl urea 21.53
    diisobutyl methanol 19.25
    2-phenylethanol 36.41
    styrene 2.72
    dioctyl adipate 18.88
    dimethyl sulfate 28.01
    ethyl butyrate 12.21
    methyl lactate 34.4
    butyl lactate 26.34
    diethyl carbonate 8.16
    propanediol butyl ether 71.86
    triethyl orthoformate 11.43
    p-tert-butyltoluene 9.21
    methyl 4-tert-butylbenzoate 43.07
    morpholine 48.63
    tert-butylamine 31.15
    n-dodecanol 13.17
    dimethoxymethane 20.17
    ethylene carbonate 20.38
    cyrene 67.37
    2-ethoxyethyl acetate 25.47
    2-ethylhexyl acetate 16.12
    1,2,4-trichlorobenzene 14.72
    4-methylpyridine 8.4
    dibutyl ether 6.44
    2,6-dimethyl-4-heptanol 19.25
    DEF 18.39
    dimethyl isosorbide 92.84
    tetrachloroethylene 22.97
    eugenol 51.02
    triacetin 27.12
    span 80 66.48
    1,4-butanediol 61.47
    1,1-dichloroethane 4.6
    2-methyl-1-pentanol 28.32
    methyl formate 29.85
    2-methyl-1-butanol 24.48
    n-decane 1.68
    butyronitrile 4.74
    3,7-dimethyl-1-octanol 22.99
    1-chlorooctane 6.3
    1-chlorotetradecane 3.56
    n-nonane 1.53
    undecane 1.46
    tert-butylcyclohexane 2.78
    cyclooctane 1.26
    cyclopentanol 47.34
    tetrahydropyran 14.7
    tert-amyl methyl ether 21.82
    2,5,8-trioxanonane 100.6
    1-hexene 2.57
    2-isopropoxyethanol 55.06
    2,2,2-trifluoroethanol 59.23
    methyl butyrate 12.11

    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