2-Acetolactate

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  • Identifiers

    CAS number
    918-44-5

    Molecular formula
    C5H8O4

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

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 66.29%
    Buttery 63.88%
    Sweet 62.65%
    Creamy 51.74%
    Milky 41.08%
    Fatty 39.54%
    Sour 35.91%
    Dairy 33.58%
    Burnt 32.33%
    Nutty 26.53%

     

    Flavor
    Creamy 44.64%
    Buttery 39.7%
    Odorless 39.17%
    Fruity 37.78%
    Sour 31.54%
    Sweet 31.32%
    Caramellic 29.31%
    Very mild 29.08%
    Butter 28.83%
    Caramel 27.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    5.96 (weak acid)

    Molecular weight
    132.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    244°C

    Flash point

    • 114.86 ˚C est.

  • Synonyms

    • 2-Acetolactate
    • 918-44-5
    • DTXSID801343582
    • RefChem:935402
    • GlyTouCan:G27347LY
    • DTXCID10964088
    • G27347LY
    • 2-hydroxy-2-methyl-3-oxobutanoic acid
    • DL-Acetolactic acid
    • Butanoic acid, 2-hydroxy-2-methyl-3-oxo-
    • 2-acetyllactic acid
    • QV9C4ZW4PY
    • 2-HYDROXY-2-METHYL-3-OXO-BUTANOIC ACID
    • 2-Acetolactic acid, (+/-)-
    • Acetoacetic acid, 2-hydroxy-2-methyl-
    • UNII-QV9C4ZW4PY
    • SCHEMBL61227
    • BDBM82146
    • CHEBI:16444
    • LMFA01050472
    • AKOS006380884
    • C00900
    • Q27101908
    • 918-44-5

  • Applications

    2-Acetolactate (CAS 918-44-5) is mainly encountered as an intermediate in the biosynthesis of branched-chain amino acids. In industrial biotechnology, it is produced and used as a substrate or intermediate in microbial pathways aimed at making valine, leucine and isoleucine and their derivatives. It also serves as a precursor that can be converted to aroma compounds such as diacetyl and acetoin, which are used in dairy and flavor applications. In research and development, it is used in enzymatic assays and in metabolic engineering studies to probe acetolactate synthase/decarboxylase pathways. Depending on formulation and process, its use is typically as an intermediate rather than a bulk chemical, and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 119.83
    methanol 252.5
    isopropanol 64.56
    water 150.51
    ethyl acetate 8.41
    n-propanol 57.88
    acetone 35.97
    n-butanol 45.08
    acetonitrile 9.15
    DMF 347.34
    toluene 2.16
    isobutanol 40.2
    1,4-dioxane 67.53
    methyl acetate 9.68
    THF 106.48
    2-butanone 20.08
    n-pentanol 31.78
    sec-butanol 45.33
    n-hexane 2.44
    ethylene glycol 129.29
    NMP 162.09
    cyclohexane 1.79
    DMSO 316.3
    n-butyl acetate 3.01
    n-octanol 14.53
    chloroform 4.17
    n-propyl acetate 4.89
    acetic acid 50.83
    dichloromethane 7.54
    cyclohexanone 22.41
    propylene glycol 76.32
    isopropyl acetate 8.58
    DMAc 166.23
    2-ethoxyethanol 143.22
    isopentanol 44.79
    n-heptane 1.96
    ethyl formate 14.94
    1,2-dichloroethane 8.76
    n-hexanol 18.94
    2-methoxyethanol 277.75
    isobutyl acetate 2.44
    tetrachloromethane 2.56
    n-pentyl acetate 6.72
    transcutol 111.58
    n-heptanol 17.23
    ethylbenzene 2.56
    MIBK 23.54
    2-propoxyethanol 64.85
    tert-butanol 115.7
    MTBE 29.8
    2-butoxyethanol 40.9
    propionic acid 21.48
    o-xylene 4.93
    formic acid 207.84
    diethyl ether 21.75
    m-xylene 3.87
    p-xylene 3.02
    chlorobenzene 1.58
    dimethyl carbonate 11.54
    n-octane 1.22
    formamide 245.99
    cyclopentanone 42.0
    2-pentanone 24.92
    anisole 11.88
    cyclopentyl methyl ether 28.42
    gamma-butyrolactone 44.07
    1-methoxy-2-propanol 150.14
    pyridine 10.75
    3-pentanone 13.95
    furfural 46.09
    n-dodecane 0.86
    diethylene glycol 106.88
    diisopropyl ether 7.74
    tert-amyl alcohol 83.49
    acetylacetone 26.97
    n-hexadecane 0.91
    acetophenone 11.98
    methyl propionate 12.94
    isopentyl acetate 4.25
    trichloroethylene 8.92
    n-nonanol 13.69
    cyclohexanol 26.53
    benzyl alcohol 16.2
    2-ethylhexanol 9.43
    isooctanol 14.31
    dipropyl ether 7.79
    1,2-dichlorobenzene 2.5
    ethyl lactate 11.02
    propylene carbonate 14.24
    n-methylformamide 120.54
    2-pentanol 33.03
    n-pentane 3.09
    1-propoxy-2-propanol 29.06
    1-methoxy-2-propyl acetate 11.21
    2-(2-methoxypropoxy) propanol 38.25
    mesitylene 3.88
    ε-caprolactone 21.08
    p-cymene 2.66
    epichlorohydrin 46.48
    1,1,1-trichloroethane 3.53
    2-aminoethanol 149.11
    morpholine-4-carbaldehyde 155.33
    sulfolane 110.12
    2,2,4-trimethylpentane 2.4
    2-methyltetrahydrofuran 42.3
    n-hexyl acetate 9.99
    isooctane 1.8
    2-(2-butoxyethoxy)ethanol 53.56
    sec-butyl acetate 4.28
    tert-butyl acetate 18.73
    decalin 1.51
    glycerin 171.05
    diglyme 90.71
    acrylic acid 23.11
    isopropyl myristate 5.12
    n-butyric acid 22.47
    acetyl acetate 4.99
    di(2-ethylhexyl) phthalate 7.29
    ethyl propionate 6.27
    nitromethane 63.25
    1,2-diethoxyethane 16.57
    benzonitrile 3.98
    trioctyl phosphate 6.39
    1-bromopropane 4.42
    gamma-valerolactone 83.17
    n-decanol 10.0
    triethyl phosphate 4.85
    4-methyl-2-pentanol 24.77
    propionitrile 6.57
    vinylene carbonate 10.21
    1,1,2-trichlorotrifluoroethane 51.41
    DMS 6.96
    cumene 3.22
    2-octanol 11.24
    2-hexanone 10.59
    octyl acetate 6.78
    limonene 4.65
    1,2-dimethoxyethane 125.32
    ethyl orthosilicate 5.12
    tributyl phosphate 5.44
    diacetone alcohol 61.86
    N,N-dimethylaniline 15.46
    acrylonitrile 8.47
    aniline 8.49
    1,3-propanediol 150.84
    bromobenzene 1.08
    dibromomethane 4.59
    1,1,2,2-tetrachloroethane 10.25
    2-methyl-cyclohexyl acetate 5.93
    tetrabutyl urea 11.5
    diisobutyl methanol 8.44
    2-phenylethanol 11.59
    styrene 2.17
    dioctyl adipate 7.59
    dimethyl sulfate 36.64
    ethyl butyrate 4.18
    methyl lactate 31.07
    butyl lactate 10.39
    diethyl carbonate 2.58
    propanediol butyl ether 39.7
    triethyl orthoformate 4.75
    p-tert-butyltoluene 2.94
    methyl 4-tert-butylbenzoate 22.07
    morpholine 99.38
    tert-butylamine 50.16
    n-dodecanol 7.3
    dimethoxymethane 133.43
    ethylene carbonate 8.11
    cyrene 49.56
    2-ethoxyethyl acetate 11.19
    2-ethylhexyl acetate 2.89
    1,2,4-trichlorobenzene 3.38
    4-methylpyridine 10.75
    dibutyl ether 6.88
    2,6-dimethyl-4-heptanol 8.44
    DEF 51.4
    dimethyl isosorbide 49.58
    tetrachloroethylene 10.24
    eugenol 24.89
    triacetin 12.66
    span 80 26.87
    1,4-butanediol 65.77
    1,1-dichloroethane 3.63
    2-methyl-1-pentanol 30.05
    methyl formate 68.81
    2-methyl-1-butanol 39.78
    n-decane 1.44
    butyronitrile 8.4
    3,7-dimethyl-1-octanol 12.2
    1-chlorooctane 3.77
    1-chlorotetradecane 1.75
    n-nonane 1.35
    undecane 1.08
    tert-butylcyclohexane 1.59
    cyclooctane 1.18
    cyclopentanol 40.41
    tetrahydropyran 23.29
    tert-amyl methyl ether 31.62
    2,5,8-trioxanonane 72.24
    1-hexene 5.17
    2-isopropoxyethanol 64.02
    2,2,2-trifluoroethanol 37.88
    methyl butyrate 9.86

    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