Aceglutamide

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  • Identifiers

    CAS number
    2490-97-3

    Molecular formula
    C7H12N2O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 56.35%
    Sweet 44.08%
    Savory 41.91%
    Meaty 33.68%
    Milky 22.24%
    Cooked 22.06%
    Burnt 18.78%
    Cocoa 18.34%
    Cooling 18.26%
    Roasted 18.13%

     

    Flavor
    Odorless 64.14%
    Mild 32.35%
    Very mild 29.34%
    Bland 25.88%
    Yeast 23.49%
    Cooked 22.5%
    Sweet-like 21.59%
    Sour 20.43%
    Faint 20.34%
    Nutty 20.19%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    7.26 (neutral)

    Molecular weight
    188.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 197 °C

    Boiling point

    • 604.00 to 605.00 °C. @ 760.00 mm Hg

    Flash point

    • 220.06 ˚C est.

  • Synonyms

    • Aceglutamide
    • 2490-97-3
    • L-Glutamine, N2-acetyl-
    • N2-Acetyl-L-glutamine
    • Aceglutamida
    • Aceglutamidum
    • acetyl glutamine
    • Glutamine, N2-acetyl-, L-
    • NEURAMINA
    • DTXSID2048959
    • ACUTIL S
    • (2S)-4-carbamoyl-2-acetamidobutanoic acid
    • 01J18G9G97
    • DTXCID301384696
    • NSC-186896
    • NSC186896
    • RefChem:551464
    • 219-647-7
    • N-Acetyl-L-glutamine
    • N-Acetylglutamine
    • acetyl-l-glutamine
    • L-Glutamine, N-acetyl-
    • Nalpha-Acetyl-L-glutamine
    • (S)-2-Acetamido-5-amino-5-oxopentanoic acid
    • Aceglutamid
    • Ac-L-Gln-OH
    • Acetylglutamine
    • N2-acetylglutamine
    • Ac-Gln-OH
    • alpha-N-Acetyl-L-glutamine
    • Aceglutamide [INN]
    • N~2~-ACETYL-L-GLUTAMINE
    • MFCD00038159
    • L-2-Acetamidoglutaramic acid
    • NSC 186896
    • N-alpha-Acetyl-L-glutamine
    • (2S)-2-acetamido-5-amino-5-oxopentanoic acid
    • .alpha.-N-Acetyl-L-glutamine
    • Aceglutamide (INN)
    • Acutil-S
    • Aceglutamidum [INN-Latin]
    • Aceglutamida [INN-Spanish]
    • Glutamine, N-acetyl-
    • NLQ
    • CAS-2490-97-3
    • Ac-Glutamine
    • UNII-01J18G9G97
    • NCGC00183120-01
    • EINECS 219-647-7
    • Glutamine Impurity 4
    • L-N2-acetyl-Glutamine
    • ACEGLUTAMIDE [MI]
    • |A-N-Acetyl-L-glutamine
    • NN(2)-acetyl-L-glutamine
    • ACEGLUTAMIDE [MART.]
    • ACEGLUTAMIDE [WHO-DD]
    • SCHEMBL287578
    • N- alpha -Acetyl-L-glutamine
    • N-.alpha.-Acetyl-L-glutamine
    • orb1310309
    • CHEMBL1234757
    • CHEBI:21553
    • HMS3264M12
    • HMS3885H06
    • Pharmakon1600-01502368
    • HY-B1065
    • Tox21_113393
    • EBC-47163
    • MSK167172
    • NSC760141
    • s4512
    • AKOS010366647
    • AKOS015837750
    • Tox21_113393_1
    • CCG-266483
    • CS-4621
    • DB04167
    • FA16411
    • FA47155
    • NSC-760141
    • NCGC00344533-01
    • -N-Acetyl-L-glutamine;N2-Acetylglutamine
    • AS-12782
    • SY057113
    • A0784
    • NS00013335
    • D07063
    • D78076
    • SBI-0653491.0001
    • (2S)-2-acetamido-5-amino-5-oxo-pentanoic acid
    • AB00694277_03
    • EN300-7399047
    • PENTAKIS(N(SUP 2)-ACETYL-L-GLUTAMINATO)
    • A817539
    • F223135
    • (2S)-2-(acetylamino)-5-amino-5-oxopentanoic acid
    • BRD-K13619941-213-01-8
    • Q63390525
    • Z756456072
    • (2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoic acid
    • F1F2182D-A535-4374-AF94-9D900EC2161E
    • 2490-97-3

  • Applications

    Aceglutamide, CAS 2490-97-3, is primarily used as an intermediate in pharmaceutical and fine chemical synthesis, and it serves as a building block for peptide chemistry and related synthetic pathways. In cosmetics and personal care, it may be used as a formulation intermediate or conditioning ingredient. In the polymer and plastics sector, it can function as a processing aid or additive to improve compatibility or performance of polymer systems. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.81
    methanol 7.77
    isopropanol 0.76
    water 47.0
    ethyl acetate 0.33
    n-propanol 1.0
    acetone 0.7
    n-butanol 0.43
    acetonitrile 0.48
    DMF 46.1
    toluene 0.08
    isobutanol 0.62
    1,4-dioxane 0.88
    methyl acetate 0.54
    THF 1.67
    2-butanone 0.7
    n-pentanol 0.34
    sec-butanol 0.77
    n-hexane 0.09
    ethylene glycol 9.52
    NMP 54.66
    cyclohexane 0.05
    DMSO 67.77
    n-butyl acetate 0.36
    n-octanol 0.24
    chloroform 0.14
    n-propyl acetate 0.3
    acetic acid 10.11
    dichloromethane 0.26
    cyclohexanone 1.26
    propylene glycol 7.65
    isopropyl acetate 0.24
    DMAc 39.58
    2-ethoxyethanol 3.97
    isopentanol 0.49
    n-heptane 0.05
    ethyl formate 2.35
    1,2-dichloroethane 0.21
    n-hexanol 0.31
    2-methoxyethanol 10.28
    isobutyl acetate 0.15
    tetrachloromethane 0.13
    n-pentyl acetate 0.24
    transcutol 5.73
    n-heptanol 0.22
    ethylbenzene 0.11
    MIBK 0.35
    2-propoxyethanol 2.47
    tert-butanol 1.18
    MTBE 0.33
    2-butoxyethanol 1.33
    propionic acid 2.85
    o-xylene 0.18
    formic acid 73.3
    diethyl ether 0.2
    m-xylene 0.1
    p-xylene 0.19
    chlorobenzene 0.07
    dimethyl carbonate 1.28
    n-octane 0.02
    formamide 41.59
    cyclopentanone 2.29
    2-pentanone 0.35
    anisole 0.38
    cyclopentyl methyl ether 0.53
    gamma-butyrolactone 5.17
    1-methoxy-2-propanol 4.0
    pyridine 0.7
    3-pentanone 0.44
    furfural 11.69
    n-dodecane 0.01
    diethylene glycol 7.98
    diisopropyl ether 0.08
    tert-amyl alcohol 1.32
    acetylacetone 0.95
    n-hexadecane 0.01
    acetophenone 0.76
    methyl propionate 0.72
    isopentyl acetate 0.42
    trichloroethylene 0.33
    n-nonanol 0.22
    cyclohexanol 0.44
    benzyl alcohol 0.64
    2-ethylhexanol 0.23
    isooctanol 0.2
    dipropyl ether 0.24
    1,2-dichlorobenzene 0.15
    ethyl lactate 1.47
    propylene carbonate 3.39
    n-methylformamide 15.49
    2-pentanol 0.25
    n-pentane 0.04
    1-propoxy-2-propanol 1.47
    1-methoxy-2-propyl acetate 1.05
    2-(2-methoxypropoxy) propanol 3.81
    mesitylene 0.1
    ε-caprolactone 1.8
    p-cymene 0.13
    epichlorohydrin 1.54
    1,1,1-trichloroethane 0.11
    2-aminoethanol 8.87
    morpholine-4-carbaldehyde 21.62
    sulfolane 21.95
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 0.7
    n-hexyl acetate 0.35
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.87
    sec-butyl acetate 0.18
    tert-butyl acetate 0.41
    decalin 0.04
    glycerin 26.69
    diglyme 5.71
    acrylic acid 5.18
    isopropyl myristate 0.14
    n-butyric acid 1.53
    acetyl acetate 0.4
    di(2-ethylhexyl) phthalate 0.71
    ethyl propionate 0.39
    nitromethane 10.44
    1,2-diethoxyethane 0.42
    benzonitrile 0.42
    trioctyl phosphate 0.38
    1-bromopropane 0.09
    gamma-valerolactone 7.92
    n-decanol 0.16
    triethyl phosphate 0.82
    4-methyl-2-pentanol 0.21
    propionitrile 0.36
    vinylene carbonate 3.17
    1,1,2-trichlorotrifluoroethane 7.8
    DMS 0.78
    cumene 0.13
    2-octanol 0.15
    2-hexanone 0.33
    octyl acetate 0.2
    limonene 0.16
    1,2-dimethoxyethane 5.56
    ethyl orthosilicate 0.62
    tributyl phosphate 0.53
    diacetone alcohol 1.94
    N,N-dimethylaniline 0.68
    acrylonitrile 0.84
    aniline 0.28
    1,3-propanediol 4.71
    bromobenzene 0.05
    dibromomethane 0.15
    1,1,2,2-tetrachloroethane 0.37
    2-methyl-cyclohexyl acetate 0.57
    tetrabutyl urea 1.09
    diisobutyl methanol 0.2
    2-phenylethanol 0.44
    styrene 0.09
    dioctyl adipate 0.42
    dimethyl sulfate 6.62
    ethyl butyrate 0.44
    methyl lactate 3.83
    butyl lactate 1.12
    diethyl carbonate 0.47
    propanediol butyl ether 3.0
    triethyl orthoformate 0.59
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 1.54
    morpholine 1.41
    tert-butylamine 0.42
    n-dodecanol 0.11
    dimethoxymethane 3.51
    ethylene carbonate 1.74
    cyrene 7.2
    2-ethoxyethyl acetate 0.52
    2-ethylhexyl acetate 0.32
    1,2,4-trichlorobenzene 0.21
    4-methylpyridine 0.69
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.2
    DEF 2.42
    dimethyl isosorbide 5.91
    tetrachloroethylene 0.39
    eugenol 2.0
    triacetin 1.11
    span 80 1.84
    1,4-butanediol 2.31
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.4
    methyl formate 11.78
    2-methyl-1-butanol 0.59
    n-decane 0.02
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.02
    cyclopentanol 0.85
    tetrahydropyran 0.27
    tert-amyl methyl ether 0.44
    2,5,8-trioxanonane 5.4
    1-hexene 0.14
    2-isopropoxyethanol 1.49
    2,2,2-trifluoroethanol 6.64
    methyl butyrate 0.74

    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