Sodium phenylacetylisoglutaminate

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  • Identifiers

    CAS number
    128932-51-4

    Molecular formula
    C13H15N2NaO4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.83%
    Savory 37.78%
    Sweet 34.35%
    Meaty 25.82%
    Cooked 23.2%
    Milky 21.36%
    Bitter 20.71%
    Cocoa 20.29%
    Cooling 19.9%
    Fishy 17.41%

     

    Flavor
    Odorless 56.76%
    Bitter 38.48%
    Mild 32.95%
    Bland 25.29%
    Very mild 22.96%
    Yeast 21.37%
    Sweet-like 20.61%
    Faint 19.93%
    Nitrile 19.91%
    Orange flower 19.38%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    4.72 (weak acid)

    Molecular weight
    286.26 g/mol

    Flash point

    • 256.91 ˚C est.

  • Synonyms

    • sodium phenylacetylisoglutaminate
    • 128932-51-4
    • I6UNUIAVSE
    • UNII-I6UNUIAVSE
    • Pentanoic acid, 5-amino-5-oxo-4-((phenylacetyl)amino)-, monosodium salt, (4S)-
    • RefChem:184072
    • phenylacetylisoglutaminate sodium
    • SCHEMBL3341731
    • Sodium (S)-5-amino-5-oxo-4-(2-phenylacetamido)pentanoate
    • DTXSID701021765
    • Sodium(S)-5-amino-5-oxo-4-(2-phenylacetamido)pentanoate
    • 128932-51-4

  • Applications

    Sodium phenylacetylisoglutaminate (CAS 128932-51-4) is primarily used as an organic-synthesis intermediate, providing a functional building block bearing both a phenylacetyl and an isoglutamyl moiety for subsequent transformations. In fragrance and cosmetics, it is commonly evaluated as a precursor for odor-active compounds or as a functional intermediate in formulating fragrance ingredients. In the polymers/plastics sector, it may serve as a monomer precursor or specialty additive for functional polymers and coatings. It can also find use in coatings, inks, and adhesives formulations where its amide/acidic functionality supports coupling reactions. Depending on local regulations, it may be considered for other niche roles in advanced materials and formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.53
    methanol 28.12
    isopropanol 1.92
    water 5.13
    ethyl acetate 0.89
    n-propanol 2.89
    acetone 4.8
    n-butanol 1.64
    acetonitrile 1.83
    DMF 193.8
    toluene 0.08
    isobutanol 1.11
    1,4-dioxane 4.08
    methyl acetate 1.79
    THF 8.75
    2-butanone 2.9
    n-pentanol 1.43
    sec-butanol 1.54
    n-hexane 0.04
    ethylene glycol 17.2
    NMP 76.89
    cyclohexane 0.02
    DMSO 272.41
    n-butyl acetate 0.8
    n-octanol 0.51
    chloroform 0.51
    n-propyl acetate 0.96
    acetic acid 28.69
    dichloromethane 0.7
    cyclohexanone 4.02
    propylene glycol 13.47
    isopropyl acetate 0.65
    DMAc 221.29
    2-ethoxyethanol 26.07
    isopentanol 1.42
    n-heptane 0.02
    ethyl formate 4.27
    1,2-dichloroethane 0.59
    n-hexanol 0.71
    2-methoxyethanol 54.57
    isobutyl acetate 0.42
    tetrachloromethane 0.13
    n-pentyl acetate 0.52
    transcutol 36.16
    n-heptanol 0.62
    ethylbenzene 0.15
    MIBK 1.11
    2-propoxyethanol 12.27
    tert-butanol 2.41
    MTBE 0.55
    2-butoxyethanol 5.34
    propionic acid 6.5
    o-xylene 0.18
    formic acid 97.78
    diethyl ether 0.47
    m-xylene 0.11
    p-xylene 0.25
    chlorobenzene 0.16
    dimethyl carbonate 3.68
    n-octane 0.01
    formamide 109.2
    cyclopentanone 7.73
    2-pentanone 1.33
    anisole 1.44
    cyclopentyl methyl ether 0.74
    gamma-butyrolactone 12.29
    1-methoxy-2-propanol 19.15
    pyridine 2.4
    3-pentanone 1.12
    furfural 21.65
    n-dodecane 0.02
    diethylene glycol 27.45
    diisopropyl ether 0.11
    tert-amyl alcohol 2.15
    acetylacetone 4.22
    n-hexadecane 0.02
    acetophenone 2.53
    methyl propionate 2.02
    isopentyl acetate 1.01
    trichloroethylene 1.31
    n-nonanol 0.56
    cyclohexanol 0.71
    benzyl alcohol 2.46
    2-ethylhexanol 0.4
    isooctanol 0.52
    dipropyl ether 0.55
    1,2-dichlorobenzene 0.35
    ethyl lactate 3.93
    propylene carbonate 5.07
    n-methylformamide 49.84
    2-pentanol 0.54
    n-pentane 0.02
    1-propoxy-2-propanol 5.88
    1-methoxy-2-propyl acetate 3.41
    2-(2-methoxypropoxy) propanol 11.33
    mesitylene 0.1
    ε-caprolactone 4.22
    p-cymene 0.16
    epichlorohydrin 7.61
    1,1,1-trichloroethane 0.25
    2-aminoethanol 19.8
    morpholine-4-carbaldehyde 54.65
    sulfolane 41.0
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.54
    n-hexyl acetate 0.81
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.59
    sec-butyl acetate 0.52
    tert-butyl acetate 1.05
    decalin 0.02
    glycerin 44.29
    diglyme 24.15
    acrylic acid 11.25
    isopropyl myristate 0.42
    n-butyric acid 4.26
    acetyl acetate 1.16
    di(2-ethylhexyl) phthalate 1.61
    ethyl propionate 1.14
    nitromethane 43.44
    1,2-diethoxyethane 2.33
    benzonitrile 1.32
    trioctyl phosphate 0.82
    1-bromopropane 0.19
    gamma-valerolactone 27.22
    n-decanol 0.43
    triethyl phosphate 1.76
    4-methyl-2-pentanol 0.47
    propionitrile 1.3
    vinylene carbonate 5.31
    1,1,2-trichlorotrifluoroethane 23.61
    DMS 2.18
    cumene 0.16
    2-octanol 0.31
    2-hexanone 1.4
    octyl acetate 0.61
    limonene 0.2
    1,2-dimethoxyethane 30.9
    ethyl orthosilicate 1.47
    tributyl phosphate 1.21
    diacetone alcohol 5.84
    N,N-dimethylaniline 1.62
    acrylonitrile 3.2
    aniline 0.61
    1,3-propanediol 18.24
    bromobenzene 0.11
    dibromomethane 0.29
    1,1,2,2-tetrachloroethane 1.42
    2-methyl-cyclohexyl acetate 1.4
    tetrabutyl urea 2.57
    diisobutyl methanol 0.35
    2-phenylethanol 1.63
    styrene 0.17
    dioctyl adipate 1.44
    dimethyl sulfate 15.01
    ethyl butyrate 1.14
    methyl lactate 10.37
    butyl lactate 2.38
    diethyl carbonate 1.2
    propanediol butyl ether 7.61
    triethyl orthoformate 1.57
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 3.98
    morpholine 7.06
    tert-butylamine 0.57
    n-dodecanol 0.31
    dimethoxymethane 19.48
    ethylene carbonate 3.23
    cyrene 15.85
    2-ethoxyethyl acetate 1.79
    2-ethylhexyl acetate 0.64
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 1.63
    dibutyl ether 0.46
    2,6-dimethyl-4-heptanol 0.35
    DEF 7.36
    dimethyl isosorbide 16.18
    tetrachloroethylene 1.0
    eugenol 6.03
    triacetin 3.56
    span 80 5.02
    1,4-butanediol 8.68
    1,1-dichloroethane 0.21
    2-methyl-1-pentanol 1.39
    methyl formate 28.3
    2-methyl-1-butanol 1.36
    n-decane 0.02
    butyronitrile 1.01
    3,7-dimethyl-1-octanol 0.51
    1-chlorooctane 0.1
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 1.29
    tetrahydropyran 0.72
    tert-amyl methyl ether 0.73
    2,5,8-trioxanonane 21.39
    1-hexene 0.19
    2-isopropoxyethanol 8.52
    2,2,2-trifluoroethanol 13.64
    methyl butyrate 2.14

    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