Ornithylaspartate

  • Identifiers

    Molecular formula
    C9H19N3O6

    SMILES
    C(C[C@@H](C(=O)O)N)C[NH3+].C([C@@H](C(=O)[O-])N)C(=O)O

  • Odor profile

    Fragrance
    Odorless 46.55%
    Cheesy 32.21%
    Fishy 27.1%
    Green 26.94%
    Savory 26.25%
    Cooling 24.88%
    Oily 23.02%
    Sweet 21.22%
    Fresh 20.47%
    Mint 20.26%

     

    Flavor
    Odorless 50.87%
    Mild 34.49%
    Sulfury 28.22%
    Bland 24.82%
    Sulfurous 22.32%
    Cultured dairy 20.35%
    Bay oil 20.24%
    Sweet-like 20.21%
    Acrid 20.12%
    Bloody 20.05%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    6.57 (neutral)

    Molecular weight
    265.26 g/mol

    Flash point

    • 154.61 ˚C est.

  • Synonyms

    • Ornithylaspartate
    • UNII-JA08T3B97O
    • L-ornithinium(1+) (+)-aspartate
    • [(4S)-4-amino-4-carboxybutyl]azanium;(2S)-2-amino-4-hydroxy-4-oxobutanoate
  • Applications

    Ornithylaspartate is commonly regarded as an intermediate in organic synthesis and may be evaluated for a range of industrial applications. In fragrance, it can serve as a component or odorant precursor for aroma compounds. In cosmetics and personal care, it may function as an ingredient or precursor for active derivatives. In industrial manufacturing, it may be used as a precursor for specialty chemicals or as an additive in resin and plastic systems. In coatings and paints, it can act as a functional additive or precursor. Depending on formulation and local regulations, it may also be evaluated as an intermediate in pharmaceutical or agrochemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.05
    methanol 0.19
    isopropanol 0.04
    water 18.65
    ethyl acetate 0.05
    n-propanol 0.04
    acetone 0.03
    n-butanol 0.04
    acetonitrile 0.02
    DMF 0.72
    toluene 0.02
    isobutanol 0.04
    1,4-dioxane 0.14
    methyl acetate 0.03
    THF 0.17
    2-butanone 0.03
    n-pentanol 0.05
    sec-butanol 0.04
    n-hexane 0.02
    ethylene glycol 2.3
    NMP 8.44
    cyclohexane 0.04
    DMSO 5.18
    n-butyl acetate 0.1
    n-octanol 0.05
    chloroform 0.02
    n-propyl acetate 0.04
    acetic acid 1.62
    dichloromethane 0.03
    cyclohexanone 0.33
    propylene glycol 0.97
    isopropyl acetate 0.07
    DMAc 1.8
    2-ethoxyethanol 0.44
    isopentanol 0.06
    n-heptane 0.06
    ethyl formate 0.07
    1,2-dichloroethane 0.03
    n-hexanol 0.14
    2-methoxyethanol 0.83
    isobutyl acetate 0.03
    tetrachloromethane 0.03
    n-pentyl acetate 0.07
    transcutol 1.02
    n-heptanol 0.13
    ethylbenzene 0.03
    MIBK 0.06
    2-propoxyethanol 0.77
    tert-butanol 0.09
    MTBE 0.02
    2-butoxyethanol 0.59
    propionic acid 0.35
    o-xylene 0.08
    formic acid 13.21
    diethyl ether 0.02
    m-xylene 0.06
    p-xylene 0.05
    chlorobenzene 0.02
    dimethyl carbonate 0.1
    n-octane 0.02
    formamide 3.56
    cyclopentanone 0.3
    2-pentanone 0.04
    anisole 0.04
    cyclopentyl methyl ether 0.15
    gamma-butyrolactone 0.67
    1-methoxy-2-propanol 0.55
    pyridine 0.08
    3-pentanone 0.05
    furfural 1.5
    n-dodecane 0.01
    diethylene glycol 3.4
    diisopropyl ether 0.03
    tert-amyl alcohol 0.1
    acetylacetone 0.21
    n-hexadecane 0.01
    acetophenone 0.14
    methyl propionate 0.08
    isopentyl acetate 0.13
    trichloroethylene 0.05
    n-nonanol 0.07
    cyclohexanol 0.19
    benzyl alcohol 0.12
    2-ethylhexanol 0.15
    isooctanol 0.14
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.06
    ethyl lactate 0.29
    propylene carbonate 0.51
    n-methylformamide 0.34
    2-pentanol 0.04
    n-pentane 0.01
    1-propoxy-2-propanol 0.51
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 0.85
    mesitylene 0.08
    ε-caprolactone 0.52
    p-cymene 0.11
    epichlorohydrin 0.17
    1,1,1-trichloroethane 0.02
    2-aminoethanol 1.0
    morpholine-4-carbaldehyde 3.61
    sulfolane 6.16
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.11
    n-hexyl acetate 0.08
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 0.96
    sec-butyl acetate 0.05
    tert-butyl acetate 0.12
    decalin 0.04
    glycerin 7.94
    diglyme 1.1
    acrylic acid 0.87
    isopropyl myristate 0.05
    n-butyric acid 0.37
    acetyl acetate 0.11
    di(2-ethylhexyl) phthalate 0.26
    ethyl propionate 0.06
    nitromethane 0.57
    1,2-diethoxyethane 0.08
    benzonitrile 0.07
    trioctyl phosphate 0.17
    1-bromopropane 0.01
    gamma-valerolactone 1.26
    n-decanol 0.06
    triethyl phosphate 0.22
    4-methyl-2-pentanol 0.07
    propionitrile 0.02
    vinylene carbonate 0.39
    1,1,2-trichlorotrifluoroethane 2.03
    DMS 0.19
    cumene 0.06
    2-octanol 0.07
    2-hexanone 0.04
    octyl acetate 0.07
    limonene 0.13
    1,2-dimethoxyethane 0.27
    ethyl orthosilicate 0.21
    tributyl phosphate 0.15
    diacetone alcohol 0.55
    N,N-dimethylaniline 0.12
    acrylonitrile 0.05
    aniline 0.06
    1,3-propanediol 0.65
    bromobenzene 0.02
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.08
    2-methyl-cyclohexyl acetate 0.23
    tetrabutyl urea 0.29
    diisobutyl methanol 0.14
    2-phenylethanol 0.23
    styrene 0.02
    dioctyl adipate 0.12
    dimethyl sulfate 0.69
    ethyl butyrate 0.11
    methyl lactate 0.67
    butyl lactate 0.35
    diethyl carbonate 0.09
    propanediol butyl ether 0.81
    triethyl orthoformate 0.18
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 0.55
    morpholine 0.19
    tert-butylamine 0.04
    n-dodecanol 0.05
    dimethoxymethane 0.14
    ethylene carbonate 0.28
    cyrene 3.33
    2-ethoxyethyl acetate 0.13
    2-ethylhexyl acetate 0.11
    1,2,4-trichlorobenzene 0.08
    4-methylpyridine 0.07
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.14
    DEF 0.28
    dimethyl isosorbide 2.0
    tetrachloroethylene 0.11
    eugenol 0.71
    triacetin 0.3
    span 80 1.16
    1,4-butanediol 0.41
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.07
    methyl formate 0.2
    2-methyl-1-butanol 0.06
    n-decane 0.01
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.02
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 0.24
    tetrahydropyran 0.05
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 1.4
    1-hexene 0.02
    2-isopropoxyethanol 0.26
    2,2,2-trifluoroethanol 1.52
    methyl butyrate 0.08

    Scent© AI

1 of 4
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