Nopalinic acid

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  • Identifiers

    CAS number
    63409-16-5

    Molecular formula
    C10H18N2O6

    SMILES
    C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.08%
    Savory 39.97%
    Meaty 31.1%
    Sweet 27.47%
    Fishy 24.47%
    Cooked 18.1%
    Alcoholic 17.38%
    Milky 17.09%
    Cooling 16.95%
    Oily 16.0%

     

    Flavor
    Odorless 72.83%
    Mild 38.86%
    Bland 34.02%
    Bitter 30.2%
    Very mild 26.18%
    Faint 25.43%
    Yeast 24.29%
    Sweet-like 24.26%
    Nitrile 19.84%
    Bay oil 19.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.9

    pKa est.
    5.72 (weak acid)

    Molecular weight
    262.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Flash point

    • 262.64 ˚C est.

  • Synonyms

    • Nopalinic acid
    • Ornaline
    • 2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
    • CHEBI:133921
    • 2-((4-amino-1-carboxybutyl)amino)pentanedioic acid
    • RefChem:1092567
    • 63409-16-5
    • N2-(1,3-Dicarboxypropyl)ornithine
    • N-(4-amino-1-carboxybutyl)glutamic acid
    • C01683
    • SCHEMBL30770774
    • DTXSID001243308
    • N-(4-Amino-1-carboxybutyl)glutamic acid, 9CI
    • N-[(1S)-4-Amino-1-carboxybutyl]-D-glutamic acid
    • 63409-16-5

  • Applications

    Nopalinic acid (CAS 63409-16-5) is used as an intermediate in the synthesis of specialty chemicals and may serve as a solvent or co-solvent in industrial formulations; it can act as a chelating agent in cleaning products and agrochemical formulations; it is used as a stabilizer or plasticizer in polymer processing; it may be employed as an additive in coatings, inks, and adhesives to improve formulation properties and surface handling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.25
    methanol 0.98
    isopropanol 0.21
    water 94.22
    ethyl acetate 0.77
    n-propanol 0.25
    acetone 0.48
    n-butanol 0.25
    acetonitrile 0.25
    DMF 39.68
    toluene 0.59
    isobutanol 0.24
    1,4-dioxane 1.14
    methyl acetate 0.35
    THF 1.43
    2-butanone 0.37
    n-pentanol 0.26
    sec-butanol 0.25
    n-hexane 0.27
    ethylene glycol 10.11
    NMP 124.05
    cyclohexane 0.3
    DMSO 79.05
    n-butyl acetate 0.55
    n-octanol 0.26
    chloroform 0.1
    n-propyl acetate 0.41
    acetic acid 5.06
    dichloromethane 0.18
    cyclohexanone 2.55
    propylene glycol 4.82
    isopropyl acetate 0.69
    DMAc 48.41
    2-ethoxyethanol 3.57
    isopentanol 0.31
    n-heptane 0.36
    ethyl formate 0.71
    1,2-dichloroethane 0.25
    n-hexanol 0.5
    2-methoxyethanol 7.99
    isobutyl acetate 0.2
    tetrachloromethane 0.08
    n-pentyl acetate 0.42
    transcutol 7.67
    n-heptanol 0.48
    ethylbenzene 0.44
    MIBK 0.63
    2-propoxyethanol 4.71
    tert-butanol 0.48
    MTBE 0.23
    2-butoxyethanol 2.52
    propionic acid 2.25
    o-xylene 1.22
    formic acid 53.77
    diethyl ether 0.24
    m-xylene 0.85
    p-xylene 0.53
    chlorobenzene 0.16
    dimethyl carbonate 3.49
    n-octane 0.15
    formamide 31.55
    cyclopentanone 3.14
    2-pentanone 0.71
    anisole 0.56
    cyclopentyl methyl ether 2.36
    gamma-butyrolactone 7.97
    1-methoxy-2-propanol 7.62
    pyridine 1.22
    3-pentanone 0.97
    furfural 12.08
    n-dodecane 0.06
    diethylene glycol 16.74
    diisopropyl ether 0.28
    tert-amyl alcohol 0.54
    acetylacetone 2.83
    n-hexadecane 0.07
    acetophenone 1.53
    methyl propionate 2.02
    isopentyl acetate 0.48
    trichloroethylene 0.37
    n-nonanol 0.3
    cyclohexanol 1.32
    benzyl alcohol 1.11
    2-ethylhexanol 0.44
    isooctanol 0.37
    dipropyl ether 0.88
    1,2-dichlorobenzene 0.29
    ethyl lactate 2.53
    propylene carbonate 4.01
    n-methylformamide 8.92
    2-pentanol 0.34
    n-pentane 0.12
    1-propoxy-2-propanol 3.43
    1-methoxy-2-propyl acetate 2.88
    2-(2-methoxypropoxy) propanol 3.83
    mesitylene 0.78
    ε-caprolactone 4.2
    p-cymene 0.48
    epichlorohydrin 1.57
    1,1,1-trichloroethane 0.09
    2-aminoethanol 4.95
    morpholine-4-carbaldehyde 49.39
    sulfolane 55.02
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 0.86
    n-hexyl acetate 0.45
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 4.45
    sec-butyl acetate 0.36
    tert-butyl acetate 1.0
    decalin 0.21
    glycerin 47.0
    diglyme 7.0
    acrylic acid 5.41
    isopropyl myristate 0.21
    n-butyric acid 2.22
    acetyl acetate 1.02
    di(2-ethylhexyl) phthalate 0.58
    ethyl propionate 0.93
    nitromethane 6.41
    1,2-diethoxyethane 0.73
    benzonitrile 0.49
    trioctyl phosphate 0.44
    1-bromopropane 0.1
    gamma-valerolactone 14.76
    n-decanol 0.26
    triethyl phosphate 1.07
    4-methyl-2-pentanol 0.32
    propionitrile 0.22
    vinylene carbonate 3.51
    1,1,2-trichlorotrifluoroethane 11.62
    DMS 1.69
    cumene 0.41
    2-octanol 0.28
    2-hexanone 0.34
    octyl acetate 0.32
    limonene 0.58
    1,2-dimethoxyethane 3.01
    ethyl orthosilicate 0.95
    tributyl phosphate 0.49
    diacetone alcohol 3.91
    N,N-dimethylaniline 1.63
    acrylonitrile 0.62
    aniline 1.09
    1,3-propanediol 2.78
    bromobenzene 0.14
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 0.49
    2-methyl-cyclohexyl acetate 0.68
    tetrabutyl urea 1.27
    diisobutyl methanol 0.42
    2-phenylethanol 0.97
    styrene 0.34
    dioctyl adipate 0.43
    dimethyl sulfate 19.55
    ethyl butyrate 0.83
    methyl lactate 11.68
    butyl lactate 1.72
    diethyl carbonate 0.56
    propanediol butyl ether 3.47
    triethyl orthoformate 1.09
    p-tert-butyltoluene 0.47
    methyl 4-tert-butylbenzoate 2.74
    morpholine 1.96
    tert-butylamine 0.26
    n-dodecanol 0.22
    dimethoxymethane 5.66
    ethylene carbonate 2.36
    cyrene 11.65
    2-ethoxyethyl acetate 0.87
    2-ethylhexyl acetate 0.41
    1,2,4-trichlorobenzene 0.41
    4-methylpyridine 1.3
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.42
    DEF 6.26
    dimethyl isosorbide 8.22
    tetrachloroethylene 0.54
    eugenol 3.3
    triacetin 1.73
    span 80 3.7
    1,4-butanediol 1.7
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 0.29
    methyl formate 4.77
    2-methyl-1-butanol 0.35
    n-decane 0.1
    butyronitrile 0.21
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.13
    1-chlorotetradecane 0.08
    n-nonane 0.11
    undecane 0.08
    tert-butylcyclohexane 0.12
    cyclooctane 0.3
    cyclopentanol 1.17
    tetrahydropyran 0.51
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 7.38
    1-hexene 0.25
    2-isopropoxyethanol 1.73
    2,2,2-trifluoroethanol 7.18
    methyl butyrate 1.06

    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