Aspartic acid, 1,4-diethyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    43101-48-0

    Molecular formula
    C8H15NO4

    SMILES
    CCOC(=O)CC(C(=O)OCC)N

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.54%
    Winey 49.93%
    Sweet 42.19%
    Caramellic 35.04%
    Apple 28.9%
    Buttery 28.68%
    Grape 28.53%
    Fatty 27.39%
    Oily 26.86%
    Tropical 26.39%

     

    Flavor
    Fruity 63.42%
    Bitter 38.74%
    Odorless 35.74%
    Mild 35.0%
    Grape 30.75%
    Wine 26.62%
    Very mild 23.41%
    Yeast 23.18%
    Bland 22.93%
    Marshmallow 22.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    6.52 (neutral)

    Molecular weight
    189.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 117.21 ˚C est.

  • Synonyms

    • DTXSID70885886
    • Aspartic acid, 1,4-diethyl ester
    • RefChem:560216
    • DTXCID20968916
    • 43101-48-0
    • diethyl 2-aminobutanedioate
    • Aspartic acid, diethyl ester
    • Diethyl DL-aspartate
    • Diethyl 1-amino-1,2-ethylenedicarboxylate
    • Aspartic acid, diethyl ester, hydrochloride
    • Diethyl aspartate hydrochloride
    • Diethyl 2-aminosuccinate
    • SCHEMBL1172846
    • ALBB-021341
    • MFCD00051355
    • AKOS015997814
    • CS-W001836
    • HY-W001836
    • PD196616
    • 43101-48-0

  • Applications

    Aspartic acid, 1,4-diethyl ester is primarily used as a synthetic intermediate and building block in organic synthesis. In pharmaceutical and biotech contexts it serves as a chiral precursor for amino acid derivatives, peptides and peptidomimetics, enabling routes to active pharmaceutical ingredients and research compounds. In polymer and materials chemistry it can function as a precursor to poly(aspartate)-type materials and other ester-containing polymers, or as a functional monomer for specialty coatings, adhesives and biodegradable polymers. It may also be used as a protected amino functionality source in the synthesis of cosmetic active ingredients. Overall, its role is that of a versatile intermediate suitable for further modification across pharmaceuticals, polymers and formulation specialties, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.41
    methanol 131.93
    isopropanol 34.68
    water 13.76
    ethyl acetate 52.52
    n-propanol 34.47
    acetone 158.84
    n-butanol 27.45
    acetonitrile 106.54
    DMF 608.38
    toluene 14.77
    isobutanol 25.86
    1,4-dioxane 66.72
    methyl acetate 71.82
    THF 144.13
    2-butanone 79.31
    n-pentanol 23.55
    sec-butanol 30.19
    n-hexane 2.11
    ethylene glycol 40.66
    NMP 779.13
    cyclohexane 1.98
    DMSO 1503.91
    n-butyl acetate 42.3
    n-octanol 9.54
    chloroform 92.3
    n-propyl acetate 35.73
    acetic acid 361.08
    dichloromethane 171.29
    cyclohexanone 152.75
    propylene glycol 36.39
    isopropyl acetate 31.48
    DMAc 671.96
    2-ethoxyethanol 93.92
    isopentanol 28.11
    n-heptane 1.01
    ethyl formate 88.45
    1,2-dichloroethane 122.08
    n-hexanol 14.69
    2-methoxyethanol 156.17
    isobutyl acetate 17.07
    tetrachloromethane 12.98
    n-pentyl acetate 20.73
    transcutol 197.61
    n-heptanol 7.37
    ethylbenzene 14.39
    MIBK 28.42
    2-propoxyethanol 58.41
    tert-butanol 50.76
    MTBE 31.55
    2-butoxyethanol 29.22
    propionic acid 116.28
    o-xylene 21.33
    formic acid 334.58
    diethyl ether 19.84
    m-xylene 13.38
    p-xylene 21.55
    chlorobenzene 44.95
    dimethyl carbonate 51.28
    n-octane 0.56
    formamide 434.17
    cyclopentanone 250.45
    2-pentanone 49.73
    anisole 48.39
    cyclopentyl methyl ether 45.71
    gamma-butyrolactone 383.52
    1-methoxy-2-propanol 83.69
    pyridine 112.26
    3-pentanone 47.57
    furfural 460.94
    n-dodecane 0.51
    diethylene glycol 77.11
    diisopropyl ether 6.28
    tert-amyl alcohol 52.27
    acetylacetone 115.93
    n-hexadecane 0.6
    acetophenone 85.94
    methyl propionate 62.27
    isopentyl acetate 40.52
    trichloroethylene 224.82
    n-nonanol 9.0
    cyclohexanol 31.21
    benzyl alcohol 58.9
    2-ethylhexanol 11.86
    isooctanol 7.11
    dipropyl ether 10.9
    1,2-dichlorobenzene 61.41
    ethyl lactate 37.44
    propylene carbonate 189.57
    n-methylformamide 258.97
    2-pentanol 15.69
    n-pentane 1.46
    1-propoxy-2-propanol 39.2
    1-methoxy-2-propyl acetate 56.96
    2-(2-methoxypropoxy) propanol 62.08
    mesitylene 9.04
    ε-caprolactone 159.27
    p-cymene 10.16
    epichlorohydrin 260.56
    1,1,1-trichloroethane 50.72
    2-aminoethanol 55.65
    morpholine-4-carbaldehyde 371.54
    sulfolane 795.35
    2,2,4-trimethylpentane 1.75
    2-methyltetrahydrofuran 86.28
    n-hexyl acetate 28.67
    isooctane 0.73
    2-(2-butoxyethoxy)ethanol 56.58
    sec-butyl acetate 21.72
    tert-butyl acetate 39.89
    decalin 2.84
    glycerin 96.76
    diglyme 134.23
    acrylic acid 165.1
    isopropyl myristate 10.33
    n-butyric acid 105.1
    acetyl acetate 66.47
    di(2-ethylhexyl) phthalate 25.23
    ethyl propionate 36.25
    nitromethane 675.98
    1,2-diethoxyethane 34.7
    benzonitrile 74.16
    trioctyl phosphate 14.15
    1-bromopropane 28.81
    gamma-valerolactone 376.15
    n-decanol 6.4
    triethyl phosphate 34.19
    4-methyl-2-pentanol 9.88
    propionitrile 48.78
    vinylene carbonate 178.19
    1,1,2-trichlorotrifluoroethane 279.91
    DMS 55.73
    cumene 11.67
    2-octanol 5.55
    2-hexanone 35.7
    octyl acetate 15.05
    limonene 14.05
    1,2-dimethoxyethane 152.61
    ethyl orthosilicate 26.4
    tributyl phosphate 23.01
    diacetone alcohol 68.55
    N,N-dimethylaniline 45.39
    acrylonitrile 105.49
    aniline 48.47
    1,3-propanediol 64.38
    bromobenzene 37.51
    dibromomethane 79.62
    1,1,2,2-tetrachloroethane 155.94
    2-methyl-cyclohexyl acetate 36.7
    tetrabutyl urea 34.09
    diisobutyl methanol 7.49
    2-phenylethanol 34.96
    styrene 19.32
    dioctyl adipate 28.17
    dimethyl sulfate 209.58
    ethyl butyrate 34.43
    methyl lactate 66.05
    butyl lactate 35.26
    diethyl carbonate 34.53
    propanediol butyl ether 43.38
    triethyl orthoformate 27.61
    p-tert-butyltoluene 8.7
    methyl 4-tert-butylbenzoate 57.04
    morpholine 93.19
    tert-butylamine 22.48
    n-dodecanol 4.74
    dimethoxymethane 105.48
    ethylene carbonate 121.78
    cyrene 107.12
    2-ethoxyethyl acetate 40.63
    2-ethylhexyl acetate 29.94
    1,2,4-trichlorobenzene 82.74
    4-methylpyridine 123.27
    dibutyl ether 10.42
    2,6-dimethyl-4-heptanol 7.49
    DEF 132.66
    dimethyl isosorbide 130.49
    tetrachloroethylene 101.72
    eugenol 53.72
    triacetin 60.17
    span 80 41.78
    1,4-butanediol 34.54
    1,1-dichloroethane 52.77
    2-methyl-1-pentanol 28.67
    methyl formate 214.83
    2-methyl-1-butanol 29.34
    n-decane 0.86
    butyronitrile 41.28
    3,7-dimethyl-1-octanol 12.29
    1-chlorooctane 5.44
    1-chlorotetradecane 2.16
    n-nonane 0.76
    undecane 0.64
    tert-butylcyclohexane 2.12
    cyclooctane 0.91
    cyclopentanol 47.92
    tetrahydropyran 38.22
    tert-amyl methyl ether 32.54
    2,5,8-trioxanonane 100.02
    1-hexene 7.7
    2-isopropoxyethanol 47.3
    2,2,2-trifluoroethanol 180.1
    methyl butyrate 63.08

    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