Sodium phenylacetyl glutamine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    104771-87-1

    Molecular formula
    C13H15N2NaO4

    SMILES
    C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.58%
    Savory 38.62%
    Sweet 37.46%
    Meaty 27.1%
    Cooked 23.19%
    Milky 21.92%
    Cocoa 20.95%
    Cooling 20.87%
    Bitter 20.5%
    Fishy 19.0%

     

    Flavor
    Odorless 56.58%
    Bitter 38.54%
    Mild 32.52%
    Bland 25.28%
    Very mild 22.99%
    Yeast 21.36%
    Sweet-like 20.62%
    Nitrile 19.91%
    Faint 19.79%
    Orange flower 19.33%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    4.56 (weak acid)

    Molecular weight
    286.26 g/mol

    Flash point

    • 250.93 ˚C est.

  • Synonyms

    • sodium phenylacetyl glutamine
    • 104771-87-1
    • Antineoplaston AS2-5
    • Antineoplaston AS 2-5
    • sodium phenylacetylglutaminate
    • UNII-I5X366518D
    • I5X366518D
    • N2-(phenylacetyl)-L-glutamine monosodium salt
    • DTXSID60146716
    • L-Glutamine, N2-(phenylaceteyl)-, monosodium salt
    • AS2-1 COMPONENT SODIUM PHENYLACETYL GLUTAMINE
    • L-GLUTAMINE, N2-(PHENYLACETYL)-, MONOSODIUM SALT
    • L-GLUTAMINE, N2-(2-PHENYLACETYL)-, SODIUM SALT (1:1)
    • RefChem:184071
    • DTXCID5069207
    • SODIUM PHENYLACETYL GLUTAMINE [INCI]
    • Sodium (S)-5-amino-5-oxo-2-(2-phenylacetamido)pentanoate
    • sodium (2-phenylacetyl)-L-glutaminate
    • sodium;(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate
    • Phenylacetyl glutaminate sodium
    • orb1985295
    • SCHEMBL3340702
    • Q27280483
    • Sodium(S)-5-amino-5-oxo-2-(2-phenylacetamido)pentanoate
    • sodium;(2R)-2-(3-amino-3-oxopropyl)-4-oxo-5-phenylpentanoic acid
    • 104771-87-1

  • Applications

    Sodium phenylacetyl glutamine (CAS 104771-87-1) is a polar, water-soluble salt typically used as an intermediate and reagent in organic synthesis and in pharmaceutical/biochemical research. It can serve as a building block for more complex amide-type compounds and may be employed as a reference material or screening substrate in analytical workflows. In formulation and processing contexts, it may function as a general formulation additive or processing aid, including roles as a mild sequestering/chelating agent in cleaning products, coatings, and polymer systems. Its ionic nature also makes it of potential interest as a stabilizer or compatibility aid in certain polymer formulations, and it could be evaluated for use in cosmetics/personal care formulations as a conditioning or texturizing component, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.14
    methanol 29.7
    isopropanol 1.69
    water 4.23
    ethyl acetate 0.89
    n-propanol 2.69
    acetone 4.32
    n-butanol 1.45
    acetonitrile 1.69
    DMF 193.63
    toluene 0.1
    isobutanol 1.02
    1,4-dioxane 3.52
    methyl acetate 1.71
    THF 7.88
    2-butanone 2.72
    n-pentanol 1.29
    sec-butanol 1.38
    n-hexane 0.05
    ethylene glycol 17.13
    NMP 86.89
    cyclohexane 0.02
    DMSO 267.7
    n-butyl acetate 0.89
    n-octanol 0.49
    chloroform 0.5
    n-propyl acetate 0.99
    acetic acid 30.24
    dichloromethane 0.7
    cyclohexanone 3.98
    propylene glycol 13.21
    isopropyl acetate 0.67
    DMAc 215.42
    2-ethoxyethanol 23.58
    isopentanol 1.3
    n-heptane 0.03
    ethyl formate 3.98
    1,2-dichloroethane 0.62
    n-hexanol 0.75
    2-methoxyethanol 49.46
    isobutyl acetate 0.42
    tetrachloromethane 0.13
    n-pentyl acetate 0.54
    transcutol 37.05
    n-heptanol 0.62
    ethylbenzene 0.17
    MIBK 1.16
    2-propoxyethanol 11.92
    tert-butanol 2.1
    MTBE 0.51
    2-butoxyethanol 5.29
    propionic acid 6.72
    o-xylene 0.21
    formic acid 101.65
    diethyl ether 0.44
    m-xylene 0.13
    p-xylene 0.29
    chlorobenzene 0.18
    dimethyl carbonate 3.88
    n-octane 0.02
    formamide 113.8
    cyclopentanone 7.81
    2-pentanone 1.3
    anisole 1.5
    cyclopentyl methyl ether 0.81
    gamma-butyrolactone 12.72
    1-methoxy-2-propanol 17.82
    pyridine 2.54
    3-pentanone 1.13
    furfural 22.37
    n-dodecane 0.02
    diethylene glycol 26.81
    diisopropyl ether 0.12
    tert-amyl alcohol 1.93
    acetylacetone 4.23
    n-hexadecane 0.02
    acetophenone 2.78
    methyl propionate 2.13
    isopentyl acetate 1.1
    trichloroethylene 1.39
    n-nonanol 0.54
    cyclohexanol 0.69
    benzyl alcohol 2.49
    2-ethylhexanol 0.43
    isooctanol 0.52
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.39
    ethyl lactate 4.2
    propylene carbonate 5.34
    n-methylformamide 49.45
    2-pentanol 0.51
    n-pentane 0.02
    1-propoxy-2-propanol 5.88
    1-methoxy-2-propyl acetate 3.64
    2-(2-methoxypropoxy) propanol 11.43
    mesitylene 0.12
    ε-caprolactone 4.35
    p-cymene 0.19
    epichlorohydrin 7.27
    1,1,1-trichloroethane 0.25
    2-aminoethanol 19.6
    morpholine-4-carbaldehyde 54.87
    sulfolane 44.39
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.51
    n-hexyl acetate 0.83
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.67
    sec-butyl acetate 0.54
    tert-butyl acetate 1.12
    decalin 0.03
    glycerin 43.18
    diglyme 23.6
    acrylic acid 12.21
    isopropyl myristate 0.42
    n-butyric acid 4.18
    acetyl acetate 1.19
    di(2-ethylhexyl) phthalate 1.69
    ethyl propionate 1.18
    nitromethane 42.82
    1,2-diethoxyethane 2.24
    benzonitrile 1.36
    trioctyl phosphate 0.85
    1-bromopropane 0.19
    gamma-valerolactone 26.78
    n-decanol 0.4
    triethyl phosphate 1.86
    4-methyl-2-pentanol 0.48
    propionitrile 1.26
    vinylene carbonate 5.63
    1,1,2-trichlorotrifluoroethane 24.03
    DMS 2.39
    cumene 0.18
    2-octanol 0.3
    2-hexanone 1.4
    octyl acetate 0.62
    limonene 0.23
    1,2-dimethoxyethane 26.9
    ethyl orthosilicate 1.55
    tributyl phosphate 1.23
    diacetone alcohol 5.94
    N,N-dimethylaniline 1.74
    acrylonitrile 3.21
    aniline 0.66
    1,3-propanediol 17.01
    bromobenzene 0.13
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 1.41
    2-methyl-cyclohexyl acetate 1.51
    tetrabutyl urea 2.59
    diisobutyl methanol 0.37
    2-phenylethanol 1.79
    styrene 0.2
    dioctyl adipate 1.49
    dimethyl sulfate 15.85
    ethyl butyrate 1.19
    methyl lactate 10.7
    butyl lactate 2.52
    diethyl carbonate 1.29
    propanediol butyl ether 7.7
    triethyl orthoformate 1.62
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 4.21
    morpholine 6.1
    tert-butylamine 0.52
    n-dodecanol 0.29
    dimethoxymethane 17.89
    ethylene carbonate 3.28
    cyrene 16.52
    2-ethoxyethyl acetate 1.85
    2-ethylhexyl acetate 0.71
    1,2,4-trichlorobenzene 0.67
    4-methylpyridine 1.68
    dibutyl ether 0.44
    2,6-dimethyl-4-heptanol 0.37
    DEF 7.11
    dimethyl isosorbide 16.6
    tetrachloroethylene 1.04
    eugenol 6.18
    triacetin 3.75
    span 80 5.14
    1,4-butanediol 7.97
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 1.3
    methyl formate 27.21
    2-methyl-1-butanol 1.26
    n-decane 0.03
    butyronitrile 0.9
    3,7-dimethyl-1-octanol 0.51
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 1.26
    tetrahydropyran 0.65
    tert-amyl methyl ether 0.71
    2,5,8-trioxanonane 20.97
    1-hexene 0.2
    2-isopropoxyethanol 7.95
    2,2,2-trifluoroethanol 13.34
    methyl butyrate 2.15

    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