Leucic acid, DL-

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  • Identifiers

    CAS number
    498-36-2

    Molecular formula
    C6H12O3

    SMILES
    CC(C)CC(C(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 86.67%
    Cheesy 53.37%
    Buttery 47.26%
    Sour 39.43%
    Dairy 38.91%
    Milky 36.09%
    Caramellic 33.25%
    Creamy 31.88%
    Odorless 26.22%
    Fatty 25.78%

     

    Flavor
    Odorless 50.09%
    Sour 38.81%
    Fruity 35.72%
    Cheese 30.69%
    Acidic 30.02%
    Roquefort cheese 21.25%
    Mild 21.22%
    Cheesy 21.06%
    Stinky 20.76%
    Sweet-like 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.9 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 76.00 °C. @ 760.00 mm Hg

    Boiling point

    • 249.00 °C. @ 760.00 mm Hg

    Flash point

    • 114.4 ˚C est.

    Solubility expt.

    • 886 mg/mL

  • Synonyms

    • 2-Hydroxy-4-methylpentanoic acid
    • 498-36-2
    • DL-leucic acid
    • 2-Hydroxy-4-methylvaleric acid
    • Leucic acid
    • 2-Hydroxyisocaproic acid
    • leucinic acid
    • 10303-64-7
    • alpha-Hydroxyisocaproic acid
    • 2-HYDROXY-4-METHYL-PENTANOIC ACID
    • Pentanoic acid, 2-hydroxy-4-methyl-
    • DL-2-Hydroxyisocaproic acid
    • HICA
    • Leucate
    • DL-alpha-Hydroxyisocaproic acid
    • 2-hydroxyisohexanoic acid
    • 8RN4NSX3TY
    • DL-2-Hydroxy-4-methylvaleric acid
    • CHEBI:59783
    • DL-2-Hydroxy-4-methylpentanoic acid
    • LEUCIC ACID, DL-
    • alpha hydroxyisocaproic acid
    • 2-Hydroxyisocaproate
    • alpha-Hydroxyisocaproate
    • (S)-2-Hydroxy-4-methylvaleric Acid
    • D-a-Hydroxyisocaproic acid
    • L-a-Hydroxyisocaproic acid
    • (+-)-Leucinic acid
    • MFCD00064214
    • MFCD00211263
    • DL-Leucate
    • a-Hydroxyisocaproate
    • EINECS 207-860-8
    • EINECS 233-677-8
    • MFCD00004246
    • 2-Hydroxyisohexanoate
    • a-Hydroxy-iso-caproate
    • DL-a-Hydroxyisocaproate
    • a-Hydroxyisocaproic acid
    • DL-2-Hydroxyisocaproate
    • UNII-8RN4NSX3TY
    • alpha-Hydroxy-iso-caproate
    • a-Hydroxy-iso-caproic acid
    • bmse000338
    • DL-alpha-Hydroxyisocaproate
    • DL-a-Hydroxyisocaproic acid
    • 2-hydroxy-4-methyl-Valerate
    • SCHEMBL185354
    • alpha-Hydroxy-iso-caproic acid
    • (+/-)-LEUCIC ACID
    • (+/-)-LEUCINIC ACID
    • 2-Hydroxy-4-methylpentanoicacid
    • 2-Hydroxyisocaproic acid, 99%
    • CHEMBL3247392
    • DL-2-Hydroxy-4-methylpentanoate
    • LVRFTAZAXQPQHI-UHFFFAOYSA-
    • 2-hydroxy-4-methyl-Valeric acid
    • DTXSID80862047
    • LEUCIC ACID, (+/-)-
    • 2-Hydroxy-4-methylpentanoic acid #
    • HY-30216A
    • LMFA01050381
    • STK895083
    • AKOS005614031
    • SB44624
    • (+/-)-2-HYDROXYISOCAPROIC ACID
    • DL-.ALPHA.-HYDROXYISOCAPROIC ACID
    • (+/-)-2-HYDROXYISOHEXANOIC ACID
    • AS-60347
    • SY066416
    • SY066744
    • DB-042392
    • CS-0135968
    • L0104
    • NS00022242
    • Pentanoic acid, 2-hydroxy-4-methyl-, (S)-
    • D87748
    • EN300-146687
    • Q17037730
    • F8882-4328
    • InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
    • 207-860-8
    • 233-677-8

  • Applications

    Leucic acid, DL- (CAS 498-36-2) is viewed primarily as an intermediate in organic synthesis, supporting the manufacture of pharmaceuticals, agrochemicals, and specialty chemicals; it can be transformed into esters, lactones, and other derivatives to yield industrial products. In polymer and plastics chemistry, it may serve as a building block or comonomer to introduce hydroxyl functionality into polymer chains. In cosmetics and personal care, it may be evaluated for use in formulations containing alpha-hydroxy acids, subject to regulatory and formulation limits. It can also serve as an analytical reference standard or benchmark in chemical analysis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.29
    methanol 52.92
    isopropanol 16.78
    water 25.32
    ethyl acetate 4.45
    n-propanol 13.9
    acetone 6.55
    n-butanol 7.94
    acetonitrile 2.55
    DMF 17.3
    toluene 1.05
    isobutanol 10.67
    1,4-dioxane 10.53
    methyl acetate 5.39
    THF 30.58
    2-butanone 5.69
    n-pentanol 8.63
    sec-butanol 14.88
    n-hexane 0.98
    ethylene glycol 80.22
    NMP 64.77
    cyclohexane 0.71
    DMSO 64.45
    n-butyl acetate 9.9
    n-octanol 13.3
    chloroform 3.62
    n-propyl acetate 3.91
    acetic acid 45.89
    dichloromethane 3.04
    cyclohexanone 12.88
    propylene glycol 63.35
    isopropyl acetate 4.82
    DMAc 33.94
    2-ethoxyethanol 34.04
    isopentanol 10.74
    n-heptane 1.65
    ethyl formate 6.59
    1,2-dichloroethane 2.97
    n-hexanol 29.57
    2-methoxyethanol 52.77
    isobutyl acetate 3.52
    tetrachloromethane 2.55
    n-pentyl acetate 8.01
    transcutol 53.07
    n-heptanol 19.71
    ethylbenzene 2.25
    MIBK 7.32
    2-propoxyethanol 66.48
    tert-butanol 40.83
    MTBE 8.52
    2-butoxyethanol 38.82
    propionic acid 26.89
    o-xylene 3.29
    formic acid 73.49
    diethyl ether 2.02
    m-xylene 3.14
    p-xylene 2.55
    chlorobenzene 2.06
    dimethyl carbonate 3.53
    n-octane 0.86
    formamide 35.14
    cyclopentanone 20.63
    2-pentanone 4.99
    anisole 5.65
    cyclopentyl methyl ether 8.53
    gamma-butyrolactone 31.53
    1-methoxy-2-propanol 37.66
    pyridine 3.82
    3-pentanone 3.28
    furfural 35.11
    n-dodecane 0.83
    diethylene glycol 97.91
    diisopropyl ether 2.27
    tert-amyl alcohol 37.86
    acetylacetone 12.2
    n-hexadecane 0.86
    acetophenone 9.65
    methyl propionate 5.34
    isopentyl acetate 12.54
    trichloroethylene 6.78
    n-nonanol 12.4
    cyclohexanol 11.96
    benzyl alcohol 11.38
    2-ethylhexanol 16.86
    isooctanol 17.31
    dipropyl ether 4.77
    1,2-dichlorobenzene 4.3
    ethyl lactate 13.2
    propylene carbonate 17.53
    n-methylformamide 16.33
    2-pentanol 7.65
    n-pentane 0.52
    1-propoxy-2-propanol 42.97
    1-methoxy-2-propyl acetate 18.68
    2-(2-methoxypropoxy) propanol 44.77
    mesitylene 3.52
    ε-caprolactone 18.18
    p-cymene 5.7
    epichlorohydrin 17.33
    1,1,1-trichloroethane 3.27
    2-aminoethanol 71.41
    morpholine-4-carbaldehyde 50.33
    sulfolane 80.18
    2,2,4-trimethylpentane 1.51
    2-methyltetrahydrofuran 15.09
    n-hexyl acetate 12.59
    isooctane 1.27
    2-(2-butoxyethoxy)ethanol 50.19
    sec-butyl acetate 4.03
    tert-butyl acetate 11.15
    decalin 1.4
    glycerin 108.37
    diglyme 53.84
    acrylic acid 31.31
    isopropyl myristate 6.84
    n-butyric acid 17.09
    acetyl acetate 4.71
    di(2-ethylhexyl) phthalate 15.04
    ethyl propionate 4.05
    nitromethane 20.55
    1,2-diethoxyethane 6.61
    benzonitrile 5.36
    trioctyl phosphate 12.15
    1-bromopropane 1.34
    gamma-valerolactone 36.51
    n-decanol 10.39
    triethyl phosphate 8.22
    4-methyl-2-pentanol 10.22
    propionitrile 2.28
    vinylene carbonate 12.5
    1,1,2-trichlorotrifluoroethane 51.59
    DMS 8.77
    cumene 3.57
    2-octanol 11.51
    2-hexanone 4.97
    octyl acetate 10.19
    limonene 7.17
    1,2-dimethoxyethane 21.02
    ethyl orthosilicate 7.78
    tributyl phosphate 9.58
    diacetone alcohol 38.11
    N,N-dimethylaniline 8.12
    acrylonitrile 4.21
    aniline 3.78
    1,3-propanediol 47.62
    bromobenzene 1.59
    dibromomethane 2.25
    1,1,2,2-tetrachloroethane 9.23
    2-methyl-cyclohexyl acetate 14.25
    tetrabutyl urea 14.47
    diisobutyl methanol 11.69
    2-phenylethanol 20.89
    styrene 1.51
    dioctyl adipate 11.42
    dimethyl sulfate 14.07
    ethyl butyrate 6.75
    methyl lactate 20.0
    butyl lactate 16.3
    diethyl carbonate 5.03
    propanediol butyl ether 43.93
    triethyl orthoformate 7.12
    p-tert-butyltoluene 6.42
    methyl 4-tert-butylbenzoate 27.72
    morpholine 13.06
    tert-butylamine 15.81
    n-dodecanol 8.36
    dimethoxymethane 9.62
    ethylene carbonate 8.19
    cyrene 49.36
    2-ethoxyethyl acetate 10.68
    2-ethylhexyl acetate 8.51
    1,2,4-trichlorobenzene 6.41
    4-methylpyridine 3.63
    dibutyl ether 3.19
    2,6-dimethyl-4-heptanol 11.69
    DEF 7.77
    dimethyl isosorbide 61.03
    tetrachloroethylene 9.34
    eugenol 34.35
    triacetin 15.13
    span 80 43.62
    1,4-butanediol 32.35
    1,1-dichloroethane 1.87
    2-methyl-1-pentanol 12.55
    methyl formate 13.77
    2-methyl-1-butanol 10.64
    n-decane 1.05
    butyronitrile 2.17
    3,7-dimethyl-1-octanol 13.93
    1-chlorooctane 3.73
    1-chlorotetradecane 2.15
    n-nonane 0.98
    undecane 0.92
    tert-butylcyclohexane 1.75
    cyclooctane 0.65
    cyclopentanol 23.13
    tetrahydropyran 4.22
    tert-amyl methyl ether 9.23
    2,5,8-trioxanonane 57.66
    1-hexene 1.67
    2-isopropoxyethanol 24.7
    2,2,2-trifluoroethanol 23.77
    methyl butyrate 5.83

    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