N-acetyl-D-alanine

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  • Identifiers

    CAS number
    19436-52-3

    Molecular formula
    C5H9NO3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 60.81%
    Savory 37.74%
    Meaty 34.33%
    Sweet 30.61%
    Roasted 24.83%
    Milky 23.56%
    Cooked 22.26%
    Burnt 21.12%
    Buttery 20.08%
    Caramellic 19.54%

     

    Flavor
    Odorless 63.16%
    Sour 29.82%
    Very mild 29.14%
    Mild 26.15%
    Acidic 23.53%
    Yeast 22.33%
    Bland 22.28%
    Cooked 21.06%
    Roquefort cheese 20.09%
    Sweet-like 20.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.28 (neutral)

    Molecular weight
    131.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 153.99 ˚C est.

  • Synonyms

    • N-Acetyl-D-alanine
    • 19436-52-3
    • Acetyl-D-Alanine
    • D-Alanine, N-acetyl-
    • IIE41SBQ9L
    • EINECS 243-066-8
    • UNII-IIE41SBQ9L
    • ALANINE, N-ACETYL-, D-
    • (R)-(+)-N-ACETYLALANINE
    • NSC 203819
    • NSC-203819
    • RefChem:162588
    • 243-066-8
    • Ac-D-Ala-OH
    • (R)-2-Acetamidopropanoic acid
    • (2R)-2-acetamidopropanoic acid
    • MFCD00063133
    • (R)-2-Acetylamino-propionic acid
    • N-acetyl-d-ala
    • N-Acetyl D-alanine
    • D-Alanine,N-acetyl-
    • SCHEMBL330308
    • CHEMBL143309
    • (R)-2-acetamido-propanoic acid
    • DTXSID101315865
    • EBC-48049
    • AKOS016842909
    • CS-W013429
    • FA47424
    • HY-W012713
    • DA-50123
    • DS-15979
    • PD196861
    • SY017386
    • N-alpha-Acetyl-D-alanine (Ac-D-Ala-OH)
    • NS00083435
    • EN300-862625
    • F045327
    • Z829930658
    • 19436-52-3

  • Applications

    N-acetyl-D-alanine (CAS 19436-52-3) is typically used as a protected amino acid derivative and chiral building block in pharmaceutical research and development, especially for peptide and peptidomimetic synthesis; it serves as an intermediate in the synthesis of drug-like compounds and as a reagent in asymmetric synthesis. It is also employed in analytical chemistry as a reference material or for derivatization in amino acid analysis. In polymer and materials science, it can be used as a building block or modifying unit for peptidic polymers and polyamide-type materials. It may appear in specialty chemical formulations as a protected amino acid derivative and in studies focused on protecting-group strategies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 65.81
    methanol 103.8
    isopropanol 41.36
    water 183.45
    ethyl acetate 3.72
    n-propanol 38.68
    acetone 14.58
    n-butanol 28.59
    acetonitrile 8.1
    DMF 156.69
    toluene 1.46
    isobutanol 27.42
    1,4-dioxane 21.64
    methyl acetate 6.3
    THF 34.88
    2-butanone 9.45
    n-pentanol 19.23
    sec-butanol 30.11
    n-hexane 1.18
    ethylene glycol 73.77
    NMP 96.27
    cyclohexane 0.4
    DMSO 165.03
    n-butyl acetate 4.57
    n-octanol 7.75
    chloroform 3.98
    n-propyl acetate 3.48
    acetic acid 33.38
    dichloromethane 7.59
    cyclohexanone 14.6
    propylene glycol 63.9
    isopropyl acetate 3.16
    DMAc 114.19
    2-ethoxyethanol 63.55
    isopentanol 24.49
    n-heptane 0.56
    ethyl formate 30.89
    1,2-dichloroethane 6.08
    n-hexanol 11.65
    2-methoxyethanol 122.4
    isobutyl acetate 2.28
    tetrachloromethane 1.63
    n-pentyl acetate 4.33
    transcutol 38.83
    n-heptanol 7.37
    ethylbenzene 1.93
    MIBK 6.56
    2-propoxyethanol 39.11
    tert-butanol 43.54
    MTBE 11.13
    2-butoxyethanol 21.2
    propionic acid 17.95
    o-xylene 2.8
    formic acid 118.54
    diethyl ether 5.03
    m-xylene 2.2
    p-xylene 2.74
    chlorobenzene 1.76
    dimethyl carbonate 4.28
    n-octane 0.41
    formamide 82.06
    cyclopentanone 20.36
    2-pentanone 7.3
    anisole 6.46
    cyclopentyl methyl ether 7.7
    gamma-butyrolactone 27.32
    1-methoxy-2-propanol 56.14
    pyridine 7.24
    3-pentanone 4.16
    furfural 51.57
    n-dodecane 0.36
    diethylene glycol 62.41
    diisopropyl ether 1.7
    tert-amyl alcohol 37.14
    acetylacetone 9.34
    n-hexadecane 0.38
    acetophenone 7.37
    methyl propionate 5.22
    isopentyl acetate 5.89
    trichloroethylene 6.33
    n-nonanol 6.67
    cyclohexanol 12.12
    benzyl alcohol 12.49
    2-ethylhexanol 6.12
    isooctanol 6.13
    dipropyl ether 3.28
    1,2-dichlorobenzene 2.78
    ethyl lactate 8.23
    propylene carbonate 15.47
    n-methylformamide 72.0
    2-pentanol 12.17
    n-pentane 0.83
    1-propoxy-2-propanol 19.5
    1-methoxy-2-propyl acetate 7.62
    2-(2-methoxypropoxy) propanol 23.25
    mesitylene 1.8
    ε-caprolactone 16.19
    p-cymene 2.08
    epichlorohydrin 27.25
    1,1,1-trichloroethane 2.56
    2-aminoethanol 89.18
    morpholine-4-carbaldehyde 85.01
    sulfolane 62.16
    2,2,4-trimethylpentane 0.75
    2-methyltetrahydrofuran 16.29
    n-hexyl acetate 6.36
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 25.38
    sec-butyl acetate 2.5
    tert-butyl acetate 5.09
    decalin 0.58
    glycerin 109.77
    diglyme 42.44
    acrylic acid 18.41
    isopropyl myristate 2.9
    n-butyric acid 18.27
    acetyl acetate 2.75
    di(2-ethylhexyl) phthalate 7.01
    ethyl propionate 3.6
    nitromethane 34.89
    1,2-diethoxyethane 7.24
    benzonitrile 7.53
    trioctyl phosphate 4.73
    1-bromopropane 3.41
    gamma-valerolactone 51.61
    n-decanol 4.93
    triethyl phosphate 4.7
    4-methyl-2-pentanol 7.97
    propionitrile 6.97
    vinylene carbonate 15.91
    1,1,2-trichlorotrifluoroethane 35.44
    DMS 4.66
    cumene 2.21
    2-octanol 5.25
    2-hexanone 6.02
    octyl acetate 4.17
    limonene 2.55
    1,2-dimethoxyethane 71.2
    ethyl orthosilicate 4.53
    tributyl phosphate 4.99
    diacetone alcohol 18.94
    N,N-dimethylaniline 8.89
    acrylonitrile 10.6
    aniline 5.1
    1,3-propanediol 79.71
    bromobenzene 1.29
    dibromomethane 4.21
    1,1,2,2-tetrachloroethane 6.8
    2-methyl-cyclohexyl acetate 5.28
    tetrabutyl urea 9.04
    diisobutyl methanol 4.12
    2-phenylethanol 8.63
    styrene 1.63
    dioctyl adipate 5.1
    dimethyl sulfate 16.21
    ethyl butyrate 4.02
    methyl lactate 15.5
    butyl lactate 8.61
    diethyl carbonate 3.23
    propanediol butyl ether 26.72
    triethyl orthoformate 4.55
    p-tert-butyltoluene 2.06
    methyl 4-tert-butylbenzoate 12.32
    morpholine 31.94
    tert-butylamine 17.72
    n-dodecanol 3.6
    dimethoxymethane 34.17
    ethylene carbonate 11.41
    cyrene 28.72
    2-ethoxyethyl acetate 6.19
    2-ethylhexyl acetate 4.16
    1,2,4-trichlorobenzene 3.15
    4-methylpyridine 11.11
    dibutyl ether 3.57
    2,6-dimethyl-4-heptanol 4.12
    DEF 20.54
    dimethyl isosorbide 29.01
    tetrachloroethylene 4.94
    eugenol 15.98
    triacetin 6.42
    span 80 15.41
    1,4-butanediol 42.28
    1,1-dichloroethane 3.29
    2-methyl-1-pentanol 18.65
    methyl formate 56.74
    2-methyl-1-butanol 24.2
    n-decane 0.58
    butyronitrile 10.67
    3,7-dimethyl-1-octanol 7.02
    1-chlorooctane 1.83
    1-chlorotetradecane 0.86
    n-nonane 0.57
    undecane 0.45
    tert-butylcyclohexane 0.76
    cyclooctane 0.27
    cyclopentanol 20.88
    tetrahydropyran 7.86
    tert-amyl methyl ether 10.1
    2,5,8-trioxanonane 34.4
    1-hexene 3.03
    2-isopropoxyethanol 27.55
    2,2,2-trifluoroethanol 21.31
    methyl butyrate 7.75

    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