D-Alanine

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  • Identifiers

    CAS number
    338-69-2

    Molecular formula
    C3H7NO2

    SMILES
    C[C@H](C(=O)O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 81.5%
    Savory 24.78%
    Meaty 19.79%
    Cheesy 17.94%
    Milky 17.21%
    Fishy 16.32%
    Sour 15.93%
    Sweet 15.86%
    Buttery 15.77%
    Sulfurous 15.61%

     

    Flavor
    Odorless 68.92%
    Sour 30.81%
    Acidic 28.34%
    Mild 28.29%
    Bland 24.33%
    Yeast 23.15%
    Sulfury 21.25%
    Soy 21.18%
    Mousy 20.84%
    Roquefort cheese 20.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.0

    pKa est.
    5.97 (weak acid)

    Molecular weight
    89.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    207°C

    Melting point expt.

    • 292 °C

    Flash point

    • 104.44 ˚C est.

    Solubility expt.

    • 165000 mg/L (at 25 °C)
    • 165.0 mg/mL

  • Synonyms

    • D-alanine
    • 338-69-2
    • (2R)-2-aminopropanoic acid
    • H-D-Ala-OH
    • (R)-Alanine
    • D-2-Aminopropionic acid
    • D-Ala
    • (R)-2-aminopropanoic acid
    • D-alpha-Alanine
    • Alanine, D-
    • Alanine D-form
    • (R)-2-Aminopropionic acid
    • D-(-)-Alanine
    • D-Alanin
    • D-alpha-Aminopropionsaeure
    • (R)-2-Aminopropionsaeure
    • D-alpha-aminopropionic acid
    • D-.alpha.-Alanine
    • alanine
    • MFCD00008077
    • Ba 2776
    • UNII-E3UDS4613U
    • D(-)-alpha-Alanine
    • DTXSID3045649
    • CHEBI:15570
    • D(-)-.alpha.-Alanine
    • EINECS 206-418-1
    • NSC 158286
    • ALANINE D-FORM [MI]
    • CHEMBL66693
    • E3UDS4613U
    • DTXCID1025649
    • (2R)-2-azaniumylpropanoate
    • NSC-158286
    • DAL
    • NCGC00024493-02
    • D-alanine zwitterion
    • (2R)-2-aminopropanoate
    • CHEBI:57416
    • CAS-338-69-2
    • delta-Alanine
    • d-a-alanine
    • R Alanine
    • (D)-alanine
    • delta-alpha-Alanine
    • D-a-Aminopropionate
    • 3h-d-ala
    • D-2-Aminopropionate
    • delta-(-)-Alanine
    • D(-)-a-Alanine
    • D(-)-a -Alanine
    • D-alpha-Aminopropionate
    • Tocris-0204
    • D-a-Aminopropionic acid
    • (R)-2-Aminopropanoate
    • D-Alanine, >=99%
    • bmse000236
    • delta-2-Aminopropionic acid
    • (R)-2-amino propionic acid
    • (2R)-2-Aminopropionic acid
    • GTPL4678
    • (2R)-2-(amino)propanoic acid
    • D-Alanine, >=98% (HPLC)
    • Tox21_110903
    • BDBM50000109
    • s3203
    • AKOS015840336
    • Tox21_110903_1
    • CS-W020127
    • DB01786
    • FA00678
    • NCGC00024493-01
    • NCGC00024493-03
    • NCGC00024494-02
    • AS-56052
    • HY-41700
    • A0177
    • NS00069914
    • EN300-53665
    • C00133
    • M02932
    • SR-01000597686
    • SR-01000597686-3
    • Q27076975
    • Z802692914
    • 0C450B43-C901-4435-9E74-051222D815EA

  • Applications

    D-Alanine (CAS 338-69-2) is primarily used as a chiral building block and intermediate in chemical and pharmaceutical syntheses. It is used as a starting material for the preparation of dipeptides and peptidomimetics, including motifs related to the D-Ala-D-Ala fragment in bacterial cell-wall research and antimicrobial development. The compound also serves as a substrate in enzymatic and biocatalysis studies and as a precursor for other D-alanine derivatives, enabling stereoselective synthesis and library generation. Additionally, it is used in chiral resolution and as a reagent for asymmetric synthesis workflows in industrial and academic settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.4
    methanol 1.07
    isopropanol 0.22
    water 155.79
    ethyl acetate 0.13
    n-propanol 0.29
    acetone 0.17
    n-butanol 0.41
    acetonitrile 0.22
    DMF 1.33
    toluene 0.07
    isobutanol 0.3
    1,4-dioxane 0.34
    methyl acetate 0.1
    THF 0.35
    2-butanone 0.17
    n-pentanol 0.23
    sec-butanol 0.34
    n-hexane 0.09
    ethylene glycol 4.15
    NMP 6.03
    cyclohexane 0.11
    DMSO 3.38
    n-butyl acetate 0.1
    n-octanol 0.15
    chloroform 0.1
    n-propyl acetate 0.07
    acetic acid 4.78
    dichloromethane 0.12
    cyclohexanone 0.52
    propylene glycol 2.04
    isopropyl acetate 0.13
    DMAc 2.15
    2-ethoxyethanol 0.84
    isopentanol 0.41
    n-heptane 0.11
    ethyl formate 0.36
    1,2-dichloroethane 0.09
    n-hexanol 0.23
    2-methoxyethanol 1.67
    isobutyl acetate 0.05
    tetrachloromethane 0.13
    n-pentyl acetate 0.16
    transcutol 1.88
    n-heptanol 0.28
    ethylbenzene 0.08
    MIBK 0.19
    2-propoxyethanol 0.74
    tert-butanol 0.43
    MTBE 0.16
    2-butoxyethanol 0.97
    propionic acid 0.78
    o-xylene 0.17
    formic acid 25.86
    diethyl ether 0.1
    m-xylene 0.11
    p-xylene 0.13
    chlorobenzene 0.05
    dimethyl carbonate 0.19
    n-octane 0.06
    formamide 9.35
    cyclopentanone 0.57
    2-pentanone 0.18
    anisole 0.1
    cyclopentyl methyl ether 0.28
    gamma-butyrolactone 0.77
    1-methoxy-2-propanol 0.92
    pyridine 0.23
    3-pentanone 0.18
    furfural 1.86
    n-dodecane 0.02
    diethylene glycol 2.7
    diisopropyl ether 0.08
    tert-amyl alcohol 0.62
    acetylacetone 0.34
    n-hexadecane 0.03
    acetophenone 0.22
    methyl propionate 0.16
    isopentyl acetate 0.15
    trichloroethylene 0.15
    n-nonanol 0.15
    cyclohexanol 0.49
    benzyl alcohol 0.26
    2-ethylhexanol 0.21
    isooctanol 0.26
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.09
    ethyl lactate 0.3
    propylene carbonate 0.58
    n-methylformamide 1.04
    2-pentanol 0.26
    n-pentane 0.07
    1-propoxy-2-propanol 0.52
    1-methoxy-2-propyl acetate 0.28
    2-(2-methoxypropoxy) propanol 1.37
    mesitylene 0.13
    ε-caprolactone 0.58
    p-cymene 0.13
    epichlorohydrin 0.29
    1,1,1-trichloroethane 0.07
    2-aminoethanol 2.39
    morpholine-4-carbaldehyde 2.9
    sulfolane 3.62
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 0.31
    n-hexyl acetate 0.16
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 1.46
    sec-butyl acetate 0.07
    tert-butyl acetate 0.21
    decalin 0.07
    glycerin 9.01
    diglyme 1.69
    acrylic acid 1.5
    isopropyl myristate 0.08
    n-butyric acid 0.81
    acetyl acetate 0.21
    di(2-ethylhexyl) phthalate 0.38
    ethyl propionate 0.09
    nitromethane 1.64
    1,2-diethoxyethane 0.16
    benzonitrile 0.15
    trioctyl phosphate 0.23
    1-bromopropane 0.06
    gamma-valerolactone 1.41
    n-decanol 0.12
    triethyl phosphate 0.22
    4-methyl-2-pentanol 0.22
    propionitrile 0.12
    vinylene carbonate 0.48
    1,1,2-trichlorotrifluoroethane 1.84
    DMS 0.2
    cumene 0.11
    2-octanol 0.17
    2-hexanone 0.11
    octyl acetate 0.12
    limonene 0.16
    1,2-dimethoxyethane 0.55
    ethyl orthosilicate 0.23
    tributyl phosphate 0.23
    diacetone alcohol 0.85
    N,N-dimethylaniline 0.22
    acrylonitrile 0.19
    aniline 0.18
    1,3-propanediol 1.8
    bromobenzene 0.04
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 0.18
    2-methyl-cyclohexyl acetate 0.2
    tetrabutyl urea 0.4
    diisobutyl methanol 0.21
    2-phenylethanol 0.28
    styrene 0.06
    dioctyl adipate 0.17
    dimethyl sulfate 0.69
    ethyl butyrate 0.13
    methyl lactate 0.74
    butyl lactate 0.49
    diethyl carbonate 0.09
    propanediol butyl ether 1.47
    triethyl orthoformate 0.18
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 0.78
    morpholine 0.41
    tert-butylamine 0.21
    n-dodecanol 0.1
    dimethoxymethane 0.35
    ethylene carbonate 0.32
    cyrene 2.37
    2-ethoxyethyl acetate 0.26
    2-ethylhexyl acetate 0.12
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 0.2
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.21
    DEF 0.55
    dimethyl isosorbide 1.75
    tetrachloroethylene 0.29
    eugenol 1.02
    triacetin 0.4
    span 80 1.37
    1,4-butanediol 0.89
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.31
    methyl formate 0.8
    2-methyl-1-butanol 0.46
    n-decane 0.04
    butyronitrile 0.16
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.05
    1-chlorotetradecane 0.03
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.06
    cyclooctane 0.09
    cyclopentanol 0.55
    tetrahydropyran 0.17
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 2.07
    1-hexene 0.09
    2-isopropoxyethanol 0.47
    2,2,2-trifluoroethanol 3.5
    methyl butyrate 0.16

    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