Diethyl 2-aminopentanedioate

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  • Identifiers

    CAS number
    10310-46-0

    Molecular formula
    C9H17NO4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 71.35%
    Winey 44.64%
    Sweet 40.42%
    Caramellic 31.36%
    Oily 28.83%
    Buttery 28.08%
    Fatty 27.96%
    Grape 26.8%
    Odorless 24.93%
    Tropical 24.41%

     

    Flavor
    Fruity 65.42%
    Bitter 38.43%
    Mild 36.56%
    Odorless 33.69%
    Grape 32.38%
    Wine 29.71%
    Yeast 24.86%
    Marshmallow 23.37%
    Fatty 22.86%
    Sweet-like 22.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.2 (neutral)

    Molecular weight
    203.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    258°C

    Flash point

    • 132.6 ˚C est.

  • Synonyms

    • Diethyl 2-aminopentanedioate
    • 10310-46-0
    • DTXSID10328242
    • RefChem:337815
    • DTXCID00279350
    • Glutaminsaurediethylester
    • SCHEMBL374738
    • DTXSID10862550
    • AKOS000280549
    • AKOS024015280
    • 55895-85-7
    • PD074851
    • 55895-85-7

  • Applications

    Diethyl 2-aminopentanedioate (CAS 10310-46-0) is the diester of glutamic acid, commonly used as a chiral building block and as a protected amino acid derivative in pharmaceutical and specialty chemical synthesis. Applications include serving as a chiral building block for drug intermediates and bioactive compounds; acting as a protected amino acid for peptide coupling and peptidomimetic synthesis; serving as an intermediate for the synthesis of agrochemicals and fine chemicals; convertible to amino acid derivatives and functional monomers for advanced materials; may be used in polymer or material science routes after hydrolysis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.09
    methanol 308.62
    isopropanol 65.61
    water 30.61
    ethyl acetate 86.16
    n-propanol 69.37
    acetone 260.16
    n-butanol 54.88
    acetonitrile 169.86
    DMF 833.08
    toluene 29.81
    isobutanol 50.88
    1,4-dioxane 108.74
    methyl acetate 100.35
    THF 195.44
    2-butanone 115.28
    n-pentanol 53.94
    sec-butanol 55.65
    n-hexane 3.26
    ethylene glycol 80.42
    NMP 863.02
    cyclohexane 2.76
    DMSO 1934.72
    n-butyl acetate 53.84
    n-octanol 17.35
    chloroform 181.36
    n-propyl acetate 57.57
    acetic acid 717.92
    dichloromethane 307.98
    cyclohexanone 223.26
    propylene glycol 74.7
    isopropyl acetate 52.35
    DMAc 748.68
    2-ethoxyethanol 177.5
    isopentanol 49.45
    n-heptane 1.38
    ethyl formate 139.4
    1,2-dichloroethane 193.15
    n-hexanol 26.58
    2-methoxyethanol 270.46
    isobutyl acetate 30.2
    tetrachloromethane 20.5
    n-pentyl acetate 36.91
    transcutol 314.3
    n-heptanol 15.07
    ethylbenzene 20.7
    MIBK 48.03
    2-propoxyethanol 97.24
    tert-butanol 95.85
    MTBE 47.51
    2-butoxyethanol 54.07
    propionic acid 204.23
    o-xylene 34.02
    formic acid 652.75
    diethyl ether 33.06
    m-xylene 24.23
    p-xylene 30.25
    chlorobenzene 81.0
    dimethyl carbonate 74.89
    n-octane 0.91
    formamide 737.81
    cyclopentanone 338.34
    2-pentanone 86.39
    anisole 73.2
    cyclopentyl methyl ether 69.79
    gamma-butyrolactone 527.25
    1-methoxy-2-propanol 151.57
    pyridine 181.83
    3-pentanone 74.9
    furfural 601.21
    n-dodecane 0.89
    diethylene glycol 125.78
    diisopropyl ether 9.73
    tert-amyl alcohol 84.07
    acetylacetone 176.87
    n-hexadecane 1.03
    acetophenone 117.32
    methyl propionate 99.66
    isopentyl acetate 47.94
    trichloroethylene 383.28
    n-nonanol 16.62
    cyclohexanol 56.28
    benzyl alcohol 98.01
    2-ethylhexanol 17.81
    isooctanol 13.84
    dipropyl ether 16.02
    1,2-dichlorobenzene 92.55
    ethyl lactate 61.64
    propylene carbonate 236.71
    n-methylformamide 448.44
    2-pentanol 31.05
    n-pentane 2.19
    1-propoxy-2-propanol 60.1
    1-methoxy-2-propyl acetate 73.15
    2-(2-methoxypropoxy) propanol 83.23
    mesitylene 15.34
    ε-caprolactone 216.59
    p-cymene 13.03
    epichlorohydrin 375.51
    1,1,1-trichloroethane 81.21
    2-aminoethanol 113.62
    morpholine-4-carbaldehyde 447.01
    sulfolane 970.73
    2,2,4-trimethylpentane 2.67
    2-methyltetrahydrofuran 114.8
    n-hexyl acetate 46.39
    isooctane 1.28
    2-(2-butoxyethoxy)ethanol 88.3
    sec-butyl acetate 31.97
    tert-butyl acetate 60.49
    decalin 3.6
    glycerin 173.24
    diglyme 192.35
    acrylic acid 300.68
    isopropyl myristate 15.95
    n-butyric acid 195.35
    acetyl acetate 98.79
    di(2-ethylhexyl) phthalate 35.81
    ethyl propionate 57.5
    nitromethane 1084.53
    1,2-diethoxyethane 53.42
    benzonitrile 116.14
    trioctyl phosphate 21.43
    1-bromopropane 47.35
    gamma-valerolactone 526.94
    n-decanol 11.95
    triethyl phosphate 37.58
    4-methyl-2-pentanol 18.52
    propionitrile 84.87
    vinylene carbonate 252.41
    1,1,2-trichlorotrifluoroethane 386.17
    DMS 76.56
    cumene 16.04
    2-octanol 11.21
    2-hexanone 57.43
    octyl acetate 23.57
    limonene 17.9
    1,2-dimethoxyethane 237.76
    ethyl orthosilicate 30.35
    tributyl phosphate 32.58
    diacetone alcohol 105.69
    N,N-dimethylaniline 60.83
    acrylonitrile 191.54
    aniline 87.23
    1,3-propanediol 127.13
    bromobenzene 66.09
    dibromomethane 134.16
    1,1,2,2-tetrachloroethane 259.51
    2-methyl-cyclohexyl acetate 43.86
    tetrabutyl urea 45.05
    diisobutyl methanol 10.83
    2-phenylethanol 52.92
    styrene 30.37
    dioctyl adipate 39.69
    dimethyl sulfate 250.08
    ethyl butyrate 41.4
    methyl lactate 106.81
    butyl lactate 55.13
    diethyl carbonate 37.45
    propanediol butyl ether 73.34
    triethyl orthoformate 33.88
    p-tert-butyltoluene 11.2
    methyl 4-tert-butylbenzoate 80.11
    morpholine 153.44
    tert-butylamine 39.17
    n-dodecanol 8.79
    dimethoxymethane 181.07
    ethylene carbonate 177.65
    cyrene 137.79
    2-ethoxyethyl acetate 67.99
    2-ethylhexyl acetate 34.61
    1,2,4-trichlorobenzene 119.11
    4-methylpyridine 185.9
    dibutyl ether 16.39
    2,6-dimethyl-4-heptanol 10.83
    DEF 185.68
    dimethyl isosorbide 140.49
    tetrachloroethylene 164.49
    eugenol 80.02
    triacetin 93.45
    span 80 62.77
    1,4-butanediol 74.05
    1,1-dichloroethane 94.74
    2-methyl-1-pentanol 51.2
    methyl formate 349.53
    2-methyl-1-butanol 51.53
    n-decane 1.46
    butyronitrile 77.19
    3,7-dimethyl-1-octanol 19.04
    1-chlorooctane 9.35
    1-chlorotetradecane 3.69
    n-nonane 1.27
    undecane 1.12
    tert-butylcyclohexane 2.96
    cyclooctane 1.31
    cyclopentanol 78.56
    tetrahydropyran 63.05
    tert-amyl methyl ether 45.85
    2,5,8-trioxanonane 136.9
    1-hexene 12.24
    2-isopropoxyethanol 85.83
    2,2,2-trifluoroethanol 300.35
    methyl butyrate 91.97

    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