Dimethyl aspartic acid

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  • Identifiers

    CAS number
    1115-22-6

    Molecular formula
    C6H11NO4

    SMILES
    CN(C)[C@@H](CC(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 67.63%
    Savory 31.82%
    Sour 24.25%
    Milky 24.09%
    Cheesy 23.97%
    Meaty 23.19%
    Sweet 21.61%
    Buttery 18.76%
    Cooked 18.12%
    Dairy 17.42%

     

    Flavor
    Odorless 65.55%
    Mild 33.09%
    Bland 28.68%
    Very mild 27.99%
    Sour 26.43%
    Yeast 22.63%
    Sweet-like 21.01%
    Acidic 20.63%
    Stinky 20.2%
    Roquefort cheese 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.9

    pKa est.
    5.99 (weak acid)

    Molecular weight
    161.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 163.6 ˚C est.

  • Synonyms

    • Dimethyl aspartic acid
    • 1115-22-6
    • N,N-dimethyl-L-aspartic acid
    • N-dimethylaminosuccinic acid
    • L-Aspartic acid, N,N-dimethyl-
    • Aspartic acid, N,N-dimethyl-, L-
    • NSC-324573
    • UNII-X6593K261D
    • X6593K261D
    • RefChem:134222
    • DIMETHYL ASPARTIC ACID [INCI]
    • (2S)-2-(dimethylamino)butanedioic acid
    • 2-(dimethylamino)butanedioic acid
    • dimethylaspartic acid
    • DIMETHYLASPARTICACID
    • SCHEMBL196268
    • DTXSID701021565
    • DB-230238
    • EN300-23906144
    • Q27293593
    • 1115-22-6

  • Applications

    Dimethyl aspartic acid (CAS 1115-22-6) is primarily used as a reactive intermediate and protected building block in organic synthesis. In pharmaceutical and medicinal chemistry, it serves as a precursor for aspartate-derived amino acids, dipeptides and peptidomimetics, enabling installation of the aspartate side chain while protecting groups are maintained. It is also used as a protected aspartate unit in solid-phase peptide synthesis and as a precursor for functionalized amino acid derivatives. In polymer science and materials chemistry, it can serve as a monomer or co-monomer for poly(aspartate)-based polymers, which have applications in biodegradable coatings, hydrogels and rheology modifiers. Additionally, it is used as an intermediary to prepare specialty esters and amides. Its use is typically as an intermediary, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.72
    methanol 12.48
    isopropanol 2.94
    water 53.54
    ethyl acetate 0.69
    n-propanol 3.96
    acetone 1.76
    n-butanol 2.38
    acetonitrile 0.84
    DMF 35.26
    toluene 0.39
    isobutanol 2.26
    1,4-dioxane 3.8
    methyl acetate 1.03
    THF 13.28
    2-butanone 1.24
    n-pentanol 1.41
    sec-butanol 2.45
    n-hexane 0.15
    ethylene glycol 25.71
    NMP 40.76
    cyclohexane 0.12
    DMSO 48.37
    n-butyl acetate 0.9
    n-octanol 1.38
    chloroform 1.56
    n-propyl acetate 0.44
    acetic acid 4.99
    dichloromethane 1.85
    cyclohexanone 3.98
    propylene glycol 13.72
    isopropyl acetate 0.5
    DMAc 36.01
    2-ethoxyethanol 10.2
    isopentanol 2.11
    n-heptane 0.18
    ethyl formate 5.27
    1,2-dichloroethane 1.48
    n-hexanol 2.58
    2-methoxyethanol 33.32
    isobutyl acetate 0.25
    tetrachloromethane 1.21
    n-pentyl acetate 0.68
    transcutol 4.12
    n-heptanol 1.98
    ethylbenzene 0.54
    MIBK 0.95
    2-propoxyethanol 11.32
    tert-butanol 5.29
    MTBE 0.8
    2-butoxyethanol 6.01
    propionic acid 3.52
    o-xylene 0.96
    formic acid 52.97
    diethyl ether 0.47
    m-xylene 0.7
    p-xylene 0.68
    chlorobenzene 0.43
    dimethyl carbonate 1.35
    n-octane 0.11
    formamide 31.77
    cyclopentanone 7.01
    2-pentanone 0.95
    anisole 1.13
    cyclopentyl methyl ether 2.11
    gamma-butyrolactone 10.26
    1-methoxy-2-propanol 12.81
    pyridine 1.86
    3-pentanone 0.78
    furfural 17.14
    n-dodecane 0.07
    diethylene glycol 23.05
    diisopropyl ether 0.2
    tert-amyl alcohol 4.39
    acetylacetone 1.83
    n-hexadecane 0.08
    acetophenone 2.0
    methyl propionate 1.37
    isopentyl acetate 1.02
    trichloroethylene 2.16
    n-nonanol 1.29
    cyclohexanol 2.21
    benzyl alcohol 2.38
    2-ethylhexanol 1.4
    isooctanol 1.4
    dipropyl ether 0.66
    1,2-dichlorobenzene 0.94
    ethyl lactate 1.96
    propylene carbonate 4.48
    n-methylformamide 21.39
    2-pentanol 1.04
    n-pentane 0.1
    1-propoxy-2-propanol 4.9
    1-methoxy-2-propyl acetate 2.01
    2-(2-methoxypropoxy) propanol 5.31
    mesitylene 0.6
    ε-caprolactone 4.46
    p-cymene 0.76
    epichlorohydrin 8.01
    1,1,1-trichloroethane 1.01
    2-aminoethanol 25.78
    morpholine-4-carbaldehyde 25.97
    sulfolane 27.66
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 3.5
    n-hexyl acetate 1.04
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 5.33
    sec-butyl acetate 0.29
    tert-butyl acetate 0.95
    decalin 0.15
    glycerin 41.32
    diglyme 9.13
    acrylic acid 4.83
    isopropyl myristate 0.46
    n-butyric acid 3.08
    acetyl acetate 0.57
    di(2-ethylhexyl) phthalate 1.67
    ethyl propionate 0.65
    nitromethane 6.33
    1,2-diethoxyethane 0.69
    benzonitrile 1.44
    trioctyl phosphate 1.21
    1-bromopropane 0.61
    gamma-valerolactone 16.2
    n-decanol 0.93
    triethyl phosphate 1.49
    4-methyl-2-pentanol 0.88
    propionitrile 1.01
    vinylene carbonate 4.42
    1,1,2-trichlorotrifluoroethane 18.08
    DMS 1.03
    cumene 0.6
    2-octanol 0.99
    2-hexanone 0.68
    octyl acetate 0.71
    limonene 0.79
    1,2-dimethoxyethane 11.0
    ethyl orthosilicate 1.29
    tributyl phosphate 1.14
    diacetone alcohol 4.45
    N,N-dimethylaniline 1.96
    acrylonitrile 2.03
    aniline 1.15
    1,3-propanediol 19.09
    bromobenzene 0.37
    dibromomethane 1.18
    1,1,2,2-tetrachloroethane 2.89
    2-methyl-cyclohexyl acetate 1.4
    tetrabutyl urea 2.3
    diisobutyl methanol 0.91
    2-phenylethanol 2.74
    styrene 0.36
    dioctyl adipate 0.87
    dimethyl sulfate 5.96
    ethyl butyrate 0.85
    methyl lactate 5.26
    butyl lactate 1.98
    diethyl carbonate 0.75
    propanediol butyl ether 5.65
    triethyl orthoformate 1.02
    p-tert-butyltoluene 0.73
    methyl 4-tert-butylbenzoate 3.76
    morpholine 6.48
    tert-butylamine 1.71
    n-dodecanol 0.66
    dimethoxymethane 7.94
    ethylene carbonate 2.93
    cyrene 11.1
    2-ethoxyethyl acetate 0.9
    2-ethylhexyl acetate 0.77
    1,2,4-trichlorobenzene 1.17
    4-methylpyridine 2.02
    dibutyl ether 0.4
    2,6-dimethyl-4-heptanol 0.91
    DEF 4.36
    dimethyl isosorbide 10.46
    tetrachloroethylene 2.71
    eugenol 4.8
    triacetin 1.2
    span 80 3.8
    1,4-butanediol 6.6
    1,1-dichloroethane 0.73
    2-methyl-1-pentanol 1.49
    methyl formate 15.24
    2-methyl-1-butanol 2.18
    n-decane 0.12
    butyronitrile 1.07
    3,7-dimethyl-1-octanol 1.15
    1-chlorooctane 0.41
    1-chlorotetradecane 0.18
    n-nonane 0.11
    undecane 0.09
    tert-butylcyclohexane 0.15
    cyclooctane 0.09
    cyclopentanol 5.32
    tetrahydropyran 1.33
    tert-amyl methyl ether 1.1
    2,5,8-trioxanonane 7.72
    1-hexene 0.3
    2-isopropoxyethanol 3.61
    2,2,2-trifluoroethanol 7.84
    methyl butyrate 1.24

    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