N-Acetyl-L-Aspartic Acid

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  • Identifiers

    CAS number
    997-55-7

    Molecular formula
    C6H9NO5

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 65.0%
    Savory 35.71%
    Meaty 29.87%
    Sweet 28.74%
    Cooked 23.58%
    Sour 23.4%
    Roasted 21.75%
    Milky 21.16%
    Burnt 21.01%
    Caramellic 19.38%

     

    Flavor
    Odorless 71.13%
    Very mild 36.15%
    Mild 32.49%
    Sour 31.27%
    Nutty 25.53%
    Bland 24.94%
    Yeast 24.29%
    Caramellic 22.45%
    Musty 21.84%
    Sweet-like 21.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    5.17 (weak acid)

    Molecular weight
    175.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Melting point expt.

    • 137 - 140 °C

    Flash point

    • 218.94 ˚C est.

    Solubility expt.

    • 675 mg/mL
    • >26.3 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • N-Acetyl-L-aspartic acid
    • 997-55-7
    • Acetyl-L-aspartic acid
    • N-Acetylaspartate
    • Acetylaspartic acid
    • (2S)-2-acetamidobutanedioic acid
    • L-Aspartic acid, N-acetyl-
    • L-N-Acetylaspartic acid
    • Acetyl aspartic acid
    • (S)-2-(acetylamino)butanedioic acid
    • Aspartic acid, N-acetyl-, L-
    • N-acetyl-s-aspartic acid
    • (S)-2-(acetylamino)succinic acid
    • 445Y04YIWR
    • CHEBI:21547
    • DTXSID40897219
    • NSC-128610
    • n-acetyl aspartate
    • Acetylaspartatic Acid
    • N-Acetylaspartatic Acid
    • RefChem:828879
    • DTXCID301326610
    • 213-643-9
    • N-Acetylaspartic acid
    • Ac-Asp-OH
    • (S)-2-Acetamidosuccinic acid
    • N-Acetyl-L-aspartate
    • MFCD00020500
    • n-alpha-acetyl-l-aspartic acid
    • CHEMBL1162494
    • C6H9NO5
    • SMR000857360
    • EINECS 213-643-9
    • NSC 128610
    • BRN 1726198
    • UNII-445Y04YIWR
    • Acetylaspartate
    • CCRIS 9429
    • N-acetyl-l-asp
    • Acetyl-l-aspartate
    • Acetyl-L-aspartic Acid; Acetylaspartic Acid; L-N-Acetylaspartic Acid; N-Acetyl-L-aspartic Acid; N- Acetyl-S-aspartic Acid; N-Acetylaspartic Acid
    • L-n-acetylaspartate
    • N-acetyl-s-aspartate
    • Spectrum_001592
    • SpecPlus_000890
    • Prestwick3_000415
    • Spectrum2_000792
    • Spectrum3_001661
    • Spectrum4_000604
    • Spectrum5_001394
    • (S)-2-Acetamidosuccinate
    • bmse000423
    • SCHEMBL37946
    • BSPBio_000370
    • BSPBio_003441
    • KBioGR_001128
    • KBioSS_002072
    • 4-04-00-03015 (Beilstein Handbook Reference)
    • MLS001335915
    • MLS001335916
    • MLS002153800
    • DivK1c_006986
    • SPBio_000924
    • BPBio1_000408
    • orb1301920
    • KBio1_001930
    • KBio2_002072
    • KBio2_004640
    • KBio2_007208
    • KBio3_002661
    • (S)-2-(acetylamino)butanedioate
    • MSK8339
    • HMS2096C12
    • HMS2231F19
    • BDBM50344958
    • CCG-40170
    • EBC-47298
    • ACETYL ASPARTIC ACID [WHO-DD]
    • AKOS006240260
    • AKOS015922843
    • N-ACETYL-L-ASPARTIC ACID [MI]
    • NCGC00016559-01
    • NCGC00016559-02
    • NCGC00016559-03
    • CAS-997-55-7
    • DS-15978
    • FN146158
    • SY317087
    • HY-113524
    • AB00513835
    • CS-0062451
    • N-Acetyl-L-aspartic acid, >=99.0% (T)
    • NS00015173
    • C01042
    • D70679
    • EN300-147553
    • 997A557
    • F219786
    • J-300056
    • Q63398464
    • Z98657516
    • 6E36ED9D-45CE-4C88-BF72-5DB051A21773
    • 997-55-7

  • Applications

    N-Acetyl-L-Aspartic Acid (CAS 997-55-7) is a protected amino acid building block and intermediate in pharmaceutical and fine chemical synthesis, enabling N-acetyl protection to support peptide bond formation and the preparation of peptidomimetics. It is also used as a research reagent in biochemical studies and analytical work, serving as a substrate or standard for assays and metabolite-related analyses. As a protected amino acid derivative, it can be a precursor for functionalized derivatives and polymer-related materials, including potential routes to poly(aspartic acid) derivatives in materials science. Its use depends on formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.49
    methanol 100.29
    isopropanol 26.8
    water 133.05
    ethyl acetate 5.48
    n-propanol 32.94
    acetone 25.42
    n-butanol 22.3
    acetonitrile 10.6
    DMF 385.38
    toluene 2.55
    isobutanol 16.55
    1,4-dioxane 60.15
    methyl acetate 8.75
    THF 56.32
    2-butanone 13.04
    n-pentanol 14.34
    sec-butanol 17.72
    n-hexane 2.06
    ethylene glycol 68.12
    NMP 176.68
    cyclohexane 2.0
    DMSO 253.27
    n-butyl acetate 4.05
    n-octanol 5.88
    chloroform 1.67
    n-propyl acetate 4.46
    acetic acid 21.61
    dichloromethane 5.4
    cyclohexanone 19.03
    propylene glycol 41.94
    isopropyl acetate 3.27
    DMAc 230.22
    2-ethoxyethanol 67.83
    isopentanol 14.17
    n-heptane 1.41
    ethyl formate 28.98
    1,2-dichloroethane 6.99
    n-hexanol 7.8
    2-methoxyethanol 150.97
    isobutyl acetate 1.84
    tetrachloromethane 0.62
    n-pentyl acetate 2.79
    transcutol 32.62
    n-heptanol 5.7
    ethylbenzene 2.75
    MIBK 4.67
    2-propoxyethanol 35.35
    tert-butanol 26.31
    MTBE 8.78
    2-butoxyethanol 20.87
    propionic acid 12.95
    o-xylene 4.35
    formic acid 95.01
    diethyl ether 10.56
    m-xylene 2.47
    p-xylene 3.38
    chlorobenzene 1.17
    dimethyl carbonate 12.8
    n-octane 0.75
    formamide 119.65
    cyclopentanone 27.34
    2-pentanone 9.24
    anisole 8.63
    cyclopentyl methyl ether 13.35
    gamma-butyrolactone 37.8
    1-methoxy-2-propanol 56.83
    pyridine 15.0
    3-pentanone 7.6
    furfural 52.67
    n-dodecane 0.53
    diethylene glycol 53.92
    diisopropyl ether 2.05
    tert-amyl alcohol 19.59
    acetylacetone 9.35
    n-hexadecane 0.56
    acetophenone 7.9
    methyl propionate 10.82
    isopentyl acetate 3.3
    trichloroethylene 4.05
    n-nonanol 5.73
    cyclohexanol 12.86
    benzyl alcohol 11.23
    2-ethylhexanol 4.07
    isooctanol 4.14
    dipropyl ether 6.87
    1,2-dichlorobenzene 1.55
    ethyl lactate 8.55
    propylene carbonate 14.9
    n-methylformamide 129.97
    2-pentanol 8.57
    n-pentane 1.66
    1-propoxy-2-propanol 17.07
    1-methoxy-2-propyl acetate 6.95
    2-(2-methoxypropoxy) propanol 20.06
    mesitylene 1.97
    ε-caprolactone 19.4
    p-cymene 1.8
    epichlorohydrin 31.71
    1,1,1-trichloroethane 1.23
    2-aminoethanol 81.5
    morpholine-4-carbaldehyde 156.19
    sulfolane 66.18
    2,2,4-trimethylpentane 0.5
    2-methyltetrahydrofuran 22.49
    n-hexyl acetate 4.17
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 24.78
    sec-butyl acetate 2.38
    tert-butyl acetate 3.7
    decalin 0.93
    glycerin 88.85
    diglyme 48.52
    acrylic acid 14.79
    isopropyl myristate 2.1
    n-butyric acid 11.64
    acetyl acetate 2.81
    di(2-ethylhexyl) phthalate 3.82
    ethyl propionate 5.87
    nitromethane 38.92
    1,2-diethoxyethane 8.75
    benzonitrile 5.67
    trioctyl phosphate 3.24
    1-bromopropane 3.72
    gamma-valerolactone 70.7
    n-decanol 4.59
    triethyl phosphate 4.8
    4-methyl-2-pentanol 4.05
    propionitrile 9.18
    vinylene carbonate 16.27
    1,1,2-trichlorotrifluoroethane 25.79
    DMS 4.79
    cumene 2.31
    2-octanol 3.41
    2-hexanone 6.57
    octyl acetate 3.2
    limonene 2.31
    1,2-dimethoxyethane 108.56
    ethyl orthosilicate 4.57
    tributyl phosphate 3.26
    diacetone alcohol 11.47
    N,N-dimethylaniline 12.16
    acrylonitrile 13.25
    aniline 6.33
    1,3-propanediol 70.63
    bromobenzene 0.8
    dibromomethane 2.99
    1,1,2,2-tetrachloroethane 4.74
    2-methyl-cyclohexyl acetate 4.02
    tetrabutyl urea 8.57
    diisobutyl methanol 2.41
    2-phenylethanol 6.26
    styrene 2.28
    dioctyl adipate 4.26
    dimethyl sulfate 26.93
    ethyl butyrate 4.97
    methyl lactate 20.87
    butyl lactate 5.44
    diethyl carbonate 4.17
    propanediol butyl ether 17.64
    triethyl orthoformate 5.8
    p-tert-butyltoluene 1.54
    methyl 4-tert-butylbenzoate 9.31
    morpholine 72.38
    tert-butylamine 11.77
    n-dodecanol 3.53
    dimethoxymethane 87.05
    ethylene carbonate 14.01
    cyrene 31.59
    2-ethoxyethyl acetate 4.45
    2-ethylhexyl acetate 2.71
    1,2,4-trichlorobenzene 1.75
    4-methylpyridine 16.55
    dibutyl ether 4.03
    2,6-dimethyl-4-heptanol 2.41
    DEF 39.57
    dimethyl isosorbide 26.72
    tetrachloroethylene 3.37
    eugenol 13.34
    triacetin 4.61
    span 80 11.82
    1,4-butanediol 32.6
    1,1-dichloroethane 2.14
    2-methyl-1-pentanol 9.73
    methyl formate 90.1
    2-methyl-1-butanol 15.15
    n-decane 0.83
    butyronitrile 10.18
    3,7-dimethyl-1-octanol 3.74
    1-chlorooctane 1.55
    1-chlorotetradecane 0.87
    n-nonane 0.86
    undecane 0.66
    tert-butylcyclohexane 0.63
    cyclooctane 1.03
    cyclopentanol 19.0
    tetrahydropyran 20.18
    tert-amyl methyl ether 9.04
    2,5,8-trioxanonane 40.95
    1-hexene 4.17
    2-isopropoxyethanol 25.09
    2,2,2-trifluoroethanol 16.26
    methyl butyrate 10.24

    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