4-((2-Carboxyethyl)amino)butanoic acid

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  • Identifiers

    CAS number
    4386-03-2

    Molecular formula
    C7H13NO4

    SMILES
    C(CC(=O)O)CNCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.35%
    Meaty 39.22%
    Savory 36.55%
    Fishy 27.13%
    Cheesy 24.77%
    Cooked 19.73%
    Sour 19.37%
    Sulfurous 18.72%
    Alcoholic 15.67%
    Roasted 15.5%

     

    Flavor
    Odorless 74.32%
    Mild 38.3%
    Sour 33.58%
    Faint 26.98%
    Bland 26.6%
    Very mild 26.04%
    Yeast 25.1%
    Acidic 24.88%
    Sweet-like 22.28%
    Soy 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.1

    pKa est.
    6.57 (neutral)

    Molecular weight
    175.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 182.4 ˚C est.

  • Synonyms

    • Spermidic acid
    • 4386-03-2
    • 4-[(2-carboxyethyl)amino]butanoic acid
    • 4-((2-Carboxyethyl)amino)butanoic acid
    • 2-Carboxyethyl gamma-aminobutyric acid
    • VO6U3596JP
    • BUTANOIC ACID, 4-((2-CARBOXYETHYL)AMINO)-
    • DTXSID80195963
    • Butanoic acid, 4-[(2-carboxyethyl)amino]-
    • RefChem:911961
    • DTXCID20118454
    • CEGABA
    • 4-(2-Carboxy-ethylamino)-butyric acid
    • 4-(2-carboxyethylamino)butanoic acid
    • Carboxyethyl-gamma-aminobutyric acid
    • 4-((2-Carboxyethyl)amino)butyric acid
    • carboxyethyl aminobutyric acid
    • N-Carboxyethyl-g-aminobutyric acid
    • MFCD00057954
    • spermidate
    • Carboxyethyl-GABA
    • EINECS 224-497-0
    • BRN 1774240
    • UNII-VO6U3596JP
    • orb2940913
    • SCHEMBL7389117
    • CHEBI:138529
    • N-Carboxyethyl-gamma-aminobutyrate
    • 4-(2-Carboxy-ethylamino)-butyrate
    • AKOS005257194
    • Carboxyethyl- gamma -aminobutyric acid
    • N-Carboxyethyl-gamma-aminobutyric acid
    • 4-((2-Carboxyethyl)amino)butanoicacid
    • AT37423
    • HY-W593287
    • N-(2-carboxyethyl)-4-aminobutyric acid
    • N-Carboxyethyl-.gamma.-aminobutyric acid
    • Butyric acid, 4-((2-carboxyethyl)amino)-
    • DB-315680
    • NS00049198
    • .BETA.-ALANINE, N-(3-CARBOXYPROPYL)-
    • 4-04-00-02609 (Beilstein Handbook Reference)
    • BUTYRIC ACID, 4-((2-CARBOXYETHYL)AMINO)
    • N-(2-CARBOXYETHYL)-4-AMINO-N-BUTYRIC ACID
    • Carboxyethyl-gamma-aminobutyric acid, >=80% (HPLC)
    • Q27291928
    • Carboxyethyl-gamma-aminobutyric acid, Hybri-Max(TM), powder, gamma-irradiated, BioXtra, suitable for hybridoma
    • 4386-03-2

  • Applications

    4-((2-Carboxyethyl)amino)butanoic acid (CAS 4386-03-2) is a polar, bifunctional amino acid derivative primarily used as an intermediate in chemical synthesis. In pharmaceutical and biotech research, it serves as a building block for peptidomimetics and other nitrogen-containing compounds. It can be a precursor for polyamino acid derivatives and may function as a monomer or crosslinking unit in specialty polymers and coatings. Its amine and carboxyl groups enable chelation and coordination chemistry, supporting potential use as a ligand in catalysis or metal-complex formulations. Additionally, it may be evaluated for cosmetic and personal-care applications as a hydrophilic ingredient, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.95
    methanol 12.1
    isopropanol 0.62
    water 136.09
    ethyl acetate 0.28
    n-propanol 1.15
    acetone 0.67
    n-butanol 0.73
    acetonitrile 0.15
    DMF 59.98
    toluene 0.09
    isobutanol 0.88
    1,4-dioxane 0.42
    methyl acetate 0.28
    THF 2.6
    2-butanone 0.41
    n-pentanol 0.62
    sec-butanol 0.7
    n-hexane 0.09
    ethylene glycol 33.36
    NMP 117.04
    cyclohexane 0.06
    DMSO 116.38
    n-butyl acetate 0.67
    n-octanol 0.46
    chloroform 0.09
    n-propyl acetate 0.41
    acetic acid 20.4
    dichloromethane 0.09
    cyclohexanone 2.43
    propylene glycol 22.4
    isopropyl acetate 0.42
    DMAc 62.48
    2-ethoxyethanol 7.51
    isopentanol 1.1
    n-heptane 0.1
    ethyl formate 1.34
    1,2-dichloroethane 0.13
    n-hexanol 0.94
    2-methoxyethanol 18.74
    isobutyl acetate 0.27
    tetrachloromethane 0.13
    n-pentyl acetate 0.42
    transcutol 18.2
    n-heptanol 0.61
    ethylbenzene 0.15
    MIBK 0.95
    2-propoxyethanol 6.27
    tert-butanol 2.51
    MTBE 0.34
    2-butoxyethanol 2.96
    propionic acid 7.33
    o-xylene 0.37
    formic acid 106.99
    diethyl ether 0.1
    m-xylene 0.22
    p-xylene 0.22
    chlorobenzene 0.08
    dimethyl carbonate 1.64
    n-octane 0.03
    formamide 77.42
    cyclopentanone 5.07
    2-pentanone 0.51
    anisole 0.49
    cyclopentyl methyl ether 1.28
    gamma-butyrolactone 9.88
    1-methoxy-2-propanol 9.02
    pyridine 0.48
    3-pentanone 0.53
    furfural 14.17
    n-dodecane 0.02
    diethylene glycol 19.81
    diisopropyl ether 0.15
    tert-amyl alcohol 2.67
    acetylacetone 2.13
    n-hexadecane 0.02
    acetophenone 1.56
    methyl propionate 0.8
    isopentyl acetate 0.99
    trichloroethylene 0.26
    n-nonanol 0.48
    cyclohexanol 1.32
    benzyl alcohol 1.22
    2-ethylhexanol 0.73
    isooctanol 0.58
    dipropyl ether 0.41
    1,2-dichlorobenzene 0.21
    ethyl lactate 3.14
    propylene carbonate 5.01
    n-methylformamide 19.13
    2-pentanol 0.47
    n-pentane 0.04
    1-propoxy-2-propanol 4.18
    1-methoxy-2-propyl acetate 2.43
    2-(2-methoxypropoxy) propanol 9.49
    mesitylene 0.29
    ε-caprolactone 3.96
    p-cymene 0.35
    epichlorohydrin 1.49
    1,1,1-trichloroethane 0.1
    2-aminoethanol 30.76
    morpholine-4-carbaldehyde 35.28
    sulfolane 62.9
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 0.91
    n-hexyl acetate 0.69
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 8.33
    sec-butyl acetate 0.35
    tert-butyl acetate 1.2
    decalin 0.09
    glycerin 80.57
    diglyme 10.95
    acrylic acid 13.72
    isopropyl myristate 0.38
    n-butyric acid 4.01
    acetyl acetate 0.61
    di(2-ethylhexyl) phthalate 1.64
    ethyl propionate 0.6
    nitromethane 10.26
    1,2-diethoxyethane 0.56
    benzonitrile 0.47
    trioctyl phosphate 0.98
    1-bromopropane 0.05
    gamma-valerolactone 14.55
    n-decanol 0.36
    triethyl phosphate 1.64
    4-methyl-2-pentanol 0.69
    propionitrile 0.2
    vinylene carbonate 3.78
    1,1,2-trichlorotrifluoroethane 16.78
    DMS 1.47
    cumene 0.25
    2-octanol 0.32
    2-hexanone 0.46
    octyl acetate 0.51
    limonene 0.47
    1,2-dimethoxyethane 4.89
    ethyl orthosilicate 1.36
    tributyl phosphate 1.23
    diacetone alcohol 7.55
    N,N-dimethylaniline 1.38
    acrylonitrile 0.53
    aniline 0.48
    1,3-propanediol 14.0
    bromobenzene 0.06
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.41
    2-methyl-cyclohexyl acetate 1.48
    tetrabutyl urea 2.58
    diisobutyl methanol 0.68
    2-phenylethanol 1.12
    styrene 0.11
    dioctyl adipate 1.14
    dimethyl sulfate 12.03
    ethyl butyrate 0.85
    methyl lactate 8.39
    butyl lactate 2.73
    diethyl carbonate 0.73
    propanediol butyl ether 7.9
    triethyl orthoformate 1.22
    p-tert-butyltoluene 0.37
    methyl 4-tert-butylbenzoate 4.31
    morpholine 1.19
    tert-butylamine 0.92
    n-dodecanol 0.27
    dimethoxymethane 3.65
    ethylene carbonate 2.31
    cyrene 17.04
    2-ethoxyethyl acetate 0.82
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 0.33
    4-methylpyridine 0.55
    dibutyl ether 0.21
    2,6-dimethyl-4-heptanol 0.68
    DEF 4.02
    dimethyl isosorbide 15.33
    tetrachloroethylene 0.54
    eugenol 5.27
    triacetin 2.89
    span 80 6.46
    1,4-butanediol 5.94
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.95
    methyl formate 8.49
    2-methyl-1-butanol 1.18
    n-decane 0.03
    butyronitrile 0.19
    3,7-dimethyl-1-octanol 0.63
    1-chlorooctane 0.09
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.09
    cyclooctane 0.05
    cyclopentanol 2.55
    tetrahydropyran 0.23
    tert-amyl methyl ether 0.66
    2,5,8-trioxanonane 13.37
    1-hexene 0.14
    2-isopropoxyethanol 3.2
    2,2,2-trifluoroethanol 13.75
    methyl butyrate 1.05

    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