N-Methyl-DL-Alanine

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  • Identifiers

    CAS number
    600-21-5

    Molecular formula
    C4H9NO2

    SMILES
    CC(C(=O)O)NC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 67.66%
    Savory 31.35%
    Meaty 27.74%
    Cheesy 25.25%
    Fishy 21.13%
    Sweet 20.96%
    Milky 19.34%
    Sulfurous 18.94%
    Cooked 17.98%
    Roasted 17.96%

     

    Flavor
    Odorless 65.06%
    Mild 28.5%
    Sour 26.91%
    Acidic 26.46%
    Bland 24.09%
    Yeast 22.32%
    Very mild 21.35%
    Sulfury 20.71%
    Roquefort cheese 20.7%
    Sweet-like 20.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.5

    pKa est.
    6.96 (neutral)

    Molecular weight
    103.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    209°C

    Flash point

    • 105.88 ˚C est.

  • Synonyms

    • N-Methyl-DL-alanine
    • DTXSID40902458
    • RefChem:1091907
    • DTXCID40870623
    • 600-21-5
    • 2-(methylamino)propanoic acid
    • H-N-Me-DL-Ala-OH
    • N-Me-DL-Ala-OH
    • MFCD00063136
    • DL-N-Methylalanine
    • alanine, N-methyl-, hydrochloride
    • N-alpha-Methyl-DL-alanine
    • 28413-45-8
    • H-DL-MeAla-OH
    • Alanine, N-methyl-, L-
    • (S)-2-(Methylamino)propanoic acid
    • Methyl-DL-alanine
    • N-Methyl-D-alanine hydrochloride
    • N-Methyl-L-alanine hydrochloride
    • Me-DL-Ala-OH
    • SCHEMBL21399
    • SCHEMBL1488020
    • SCHEMBL4311258
    • SCHEMBL4875537
    • SCHEMBL10948057
    • SCHEMBL11215177
    • CHEBI:143269
    • GDFAOVXKHJXLEI-UHFFFAOYSA-N
    • ALBB-021461
    • BBL022510
    • MSK181807
    • STL262627
    • AKOS009158402
    • CS-W011307
    • FM48853
    • HY-W010591
    • AS-19063
    • PD196972
    • SY006014
    • DB-049379
    • DB-049799
    • M0777
    • EN300-64574
    • N-Methyl-DL-alanine , 95% (Me-DL-Ala-OH)
    • F075290
    • 600-21-5

  • Applications

    N-Methyl-DL-Alanine (CAS 600-21-5) is primarily used as a chiral building block and synthetic intermediate in pharmaceutical research and development, enabling the preparation of N-methylated amino acid derivatives and peptidomimetics with potential protease resistance. It may be used in organic synthesis as a protected or unprotected amino acid building block for route development and as a biochemical research reagent, serving as a substrate analogue or assay standard. In polymer and materials science, it can be employed as a monomer or functional modifier for peptide-based materials or functionalized polymers. It may also serve as a source of amino acid ligands in certain metal-catalyzed transformations. Use in consumer products is limited and subject to local regulations; formulation and handling depend on specific applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.17
    methanol 21.97
    isopropanol 1.07
    water 334.99
    ethyl acetate 0.4
    n-propanol 1.8
    acetone 0.43
    n-butanol 1.75
    acetonitrile 0.64
    DMF 3.0
    toluene 0.13
    isobutanol 2.15
    1,4-dioxane 2.1
    methyl acetate 0.41
    THF 2.66
    2-butanone 0.49
    n-pentanol 1.42
    sec-butanol 1.49
    n-hexane 0.18
    ethylene glycol 29.0
    NMP 37.51
    cyclohexane 0.2
    DMSO 24.69
    n-butyl acetate 0.7
    n-octanol 1.4
    chloroform 0.59
    n-propyl acetate 0.32
    acetic acid 36.81
    dichloromethane 0.85
    cyclohexanone 3.01
    propylene glycol 11.94
    isopropyl acetate 0.38
    DMAc 8.53
    2-ethoxyethanol 6.8
    isopentanol 2.23
    n-heptane 0.25
    ethyl formate 1.38
    1,2-dichloroethane 0.61
    n-hexanol 2.16
    2-methoxyethanol 12.47
    isobutyl acetate 0.29
    tetrachloromethane 0.59
    n-pentyl acetate 1.13
    transcutol 19.15
    n-heptanol 2.4
    ethylbenzene 0.18
    MIBK 0.74
    2-propoxyethanol 5.82
    tert-butanol 2.93
    MTBE 0.61
    2-butoxyethanol 6.21
    propionic acid 6.12
    o-xylene 0.5
    formic acid 173.84
    diethyl ether 0.29
    m-xylene 0.35
    p-xylene 0.33
    chlorobenzene 0.3
    dimethyl carbonate 0.33
    n-octane 0.13
    formamide 64.5
    cyclopentanone 2.92
    2-pentanone 0.45
    anisole 0.47
    cyclopentyl methyl ether 1.19
    gamma-butyrolactone 5.92
    1-methoxy-2-propanol 4.2
    pyridine 0.98
    3-pentanone 0.46
    furfural 12.41
    n-dodecane 0.09
    diethylene glycol 16.35
    diisopropyl ether 0.24
    tert-amyl alcohol 4.69
    acetylacetone 1.16
    n-hexadecane 0.09
    acetophenone 1.15
    methyl propionate 0.45
    isopentyl acetate 1.17
    trichloroethylene 1.1
    n-nonanol 1.43
    cyclohexanol 2.91
    benzyl alcohol 1.47
    2-ethylhexanol 1.75
    isooctanol 2.48
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.68
    ethyl lactate 1.34
    propylene carbonate 3.28
    n-methylformamide 4.76
    2-pentanol 0.89
    n-pentane 0.13
    1-propoxy-2-propanol 3.29
    1-methoxy-2-propyl acetate 1.53
    2-(2-methoxypropoxy) propanol 9.05
    mesitylene 0.48
    ε-caprolactone 4.24
    p-cymene 0.64
    epichlorohydrin 2.62
    1,1,1-trichloroethane 0.43
    2-aminoethanol 23.0
    morpholine-4-carbaldehyde 15.66
    sulfolane 30.13
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 2.1
    n-hexyl acetate 1.53
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 9.77
    sec-butyl acetate 0.3
    tert-butyl acetate 0.98
    decalin 0.21
    glycerin 41.68
    diglyme 12.04
    acrylic acid 10.91
    isopropyl myristate 0.78
    n-butyric acid 4.43
    acetyl acetate 0.61
    di(2-ethylhexyl) phthalate 3.04
    ethyl propionate 0.33
    nitromethane 7.75
    1,2-diethoxyethane 1.14
    benzonitrile 0.85
    trioctyl phosphate 1.99
    1-bromopropane 0.24
    gamma-valerolactone 9.45
    n-decanol 1.1
    triethyl phosphate 1.28
    4-methyl-2-pentanol 1.22
    propionitrile 0.42
    vinylene carbonate 2.99
    1,1,2-trichlorotrifluoroethane 13.33
    DMS 1.36
    cumene 0.4
    2-octanol 1.27
    2-hexanone 0.48
    octyl acetate 1.08
    limonene 0.91
    1,2-dimethoxyethane 3.32
    ethyl orthosilicate 1.26
    tributyl phosphate 2.04
    diacetone alcohol 4.05
    N,N-dimethylaniline 0.99
    acrylonitrile 0.73
    aniline 0.75
    1,3-propanediol 15.44
    bromobenzene 0.21
    dibromomethane 0.53
    1,1,2,2-tetrachloroethane 1.23
    2-methyl-cyclohexyl acetate 1.8
    tetrabutyl urea 3.19
    diisobutyl methanol 1.28
    2-phenylethanol 2.05
    styrene 0.14
    dioctyl adipate 1.66
    dimethyl sulfate 2.25
    ethyl butyrate 0.66
    methyl lactate 2.35
    butyl lactate 2.98
    diethyl carbonate 0.5
    propanediol butyl ether 8.94
    triethyl orthoformate 0.96
    p-tert-butyltoluene 0.65
    methyl 4-tert-butylbenzoate 4.99
    morpholine 2.72
    tert-butylamine 1.43
    n-dodecanol 0.84
    dimethoxymethane 0.99
    ethylene carbonate 1.87
    cyrene 12.28
    2-ethoxyethyl acetate 1.8
    2-ethylhexyl acetate 0.91
    1,2,4-trichlorobenzene 1.02
    4-methylpyridine 0.74
    dibutyl ether 0.53
    2,6-dimethyl-4-heptanol 1.28
    DEF 1.63
    dimethyl isosorbide 12.76
    tetrachloroethylene 1.89
    eugenol 6.33
    triacetin 2.73
    span 80 9.15
    1,4-butanediol 7.91
    1,1-dichloroethane 0.22
    2-methyl-1-pentanol 2.37
    methyl formate 3.02
    2-methyl-1-butanol 2.65
    n-decane 0.13
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 1.72
    1-chlorooctane 0.37
    1-chlorotetradecane 0.21
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.22
    cyclooctane 0.14
    cyclopentanol 4.45
    tetrahydropyran 0.73
    tert-amyl methyl ether 1.04
    2,5,8-trioxanonane 13.19
    1-hexene 0.25
    2-isopropoxyethanol 3.46
    2,2,2-trifluoroethanol 19.13
    methyl butyrate 0.62

    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