N-(Carboxymethyl)-beta-alanine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    505-72-6

    Molecular formula
    C5H9NO4

    SMILES
    C(CNCC(=O)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.2%
    Savory 32.05%
    Meaty 30.13%
    Sour 21.87%
    Cooked 19.17%
    Fishy 18.3%
    Sulfurous 17.96%
    Cheesy 17.72%
    Sweet 15.69%
    Milky 15.38%

     

    Flavor
    Odorless 77.49%
    Mild 36.69%
    Sour 35.48%
    Very mild 30.53%
    Bland 26.44%
    Yeast 25.73%
    Faint 25.54%
    Acidic 24.8%
    Sweet-like 21.81%
    Soy 20.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.4

    pKa est.
    6.78 (neutral)

    Molecular weight
    147.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Melting point expt.

    • 195 - 198 °C

    Flash point

    • 202.96 ˚C est.

    Solubility expt.

    • 26 mg/mL at 7 °C

  • Synonyms

    • 505-72-6
    • N-(Carboxymethyl)-beta-alanine
    • DTXSID60964715
    • RefChem:1091412
    • DTXCID001392404
    • 3-(carboxymethylamino)propanoic acid
    • 3-((carboxymethyl)amino)propanoic acid
    • N-(2-carboxyethyl)glycine
    • N-(carboxymethyl)--alanine
    • NSC134478
    • NSC-134478
    • 3-[(carboxymethyl)amino]propanoic acid
    • MFCD06208132
    • N-(Carboxyethyl)glycine
    • Iminopropionicacetic acid
    • NCIStruc1_001622
    • NCIStruc2_000082
    • SCHEMBL158810
    • 47J8VT5J9N
    • orb1991930
    • CHEMBL1741719
    • CHEBI:173626
    • beta-Alanine, N-(carboxymethyl)-
    • N-(Carboxymethyl)-b-alanine, 9CI
    • CCG-37457
    • NCGC00014337
    • NCI134478
    • AKOS006293281
    • NCGC00014337-02
    • NCGC00097446-01
    • NCI60_000766
    • (3R)-3-[(Carboxylmethyl)amino]fatty acid
    • DS-002008
    • 3-(2-Hydroxy-2-oxoethylamino)propanoic acid
    • C22516
    • G63320
    • CL5
    • 505-72-6

  • Applications

    N-(Carboxymethyl)-beta-alanine (CAS 505-72-6) is typically used as an intermediate and building block in organic synthesis and pharmaceutical development, serving as a precursor for beta-alanine derivatives and peptidomimetics; it may function as a metal chelating agent in formulations and cleaning products; it can act as a functional monomer or component in polymers and plastics; it is evaluated for applications in coatings/inks and may be considered for cosmetic or personal care formulations under regulatory guidance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.28
    methanol 34.17
    isopropanol 2.58
    water 104.46
    ethyl acetate 0.52
    n-propanol 4.43
    acetone 3.98
    n-butanol 2.15
    acetonitrile 0.57
    DMF 82.65
    toluene 0.08
    isobutanol 2.14
    1,4-dioxane 0.93
    methyl acetate 1.07
    THF 2.46
    2-butanone 2.18
    n-pentanol 0.93
    sec-butanol 2.22
    n-hexane 0.13
    ethylene glycol 50.88
    NMP 84.72
    cyclohexane 0.08
    DMSO 159.46
    n-butyl acetate 0.72
    n-octanol 0.53
    chloroform 0.19
    n-propyl acetate 0.35
    acetic acid 13.02
    dichloromethane 0.28
    cyclohexanone 2.49
    propylene glycol 29.29
    isopropyl acetate 0.36
    DMAc 62.71
    2-ethoxyethanol 6.73
    isopentanol 1.5
    n-heptane 0.14
    ethyl formate 3.64
    1,2-dichloroethane 0.4
    n-hexanol 1.26
    2-methoxyethanol 26.81
    isobutyl acetate 0.11
    tetrachloromethane 0.34
    n-pentyl acetate 0.36
    transcutol 6.67
    n-heptanol 0.71
    ethylbenzene 0.11
    MIBK 0.75
    2-propoxyethanol 5.37
    tert-butanol 4.62
    MTBE 0.7
    2-butoxyethanol 2.59
    propionic acid 9.69
    o-xylene 0.26
    formic acid 91.63
    diethyl ether 0.35
    m-xylene 0.12
    p-xylene 0.16
    chlorobenzene 0.07
    dimethyl carbonate 1.81
    n-octane 0.04
    formamide 71.99
    cyclopentanone 4.41
    2-pentanone 1.22
    anisole 0.36
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 6.77
    1-methoxy-2-propanol 10.15
    pyridine 0.69
    3-pentanone 1.17
    furfural 10.98
    n-dodecane 0.02
    diethylene glycol 15.8
    diisopropyl ether 0.14
    tert-amyl alcohol 4.4
    acetylacetone 1.97
    n-hexadecane 0.03
    acetophenone 1.02
    methyl propionate 1.43
    isopentyl acetate 0.66
    trichloroethylene 0.54
    n-nonanol 0.51
    cyclohexanol 1.21
    benzyl alcohol 0.84
    2-ethylhexanol 0.69
    isooctanol 0.46
    dipropyl ether 0.45
    1,2-dichlorobenzene 0.18
    ethyl lactate 2.12
    propylene carbonate 2.8
    n-methylformamide 43.55
    2-pentanol 0.87
    n-pentane 0.09
    1-propoxy-2-propanol 3.16
    1-methoxy-2-propyl acetate 1.45
    2-(2-methoxypropoxy) propanol 5.32
    mesitylene 0.16
    ε-caprolactone 2.52
    p-cymene 0.27
    epichlorohydrin 2.04
    1,1,1-trichloroethane 0.24
    2-aminoethanol 39.6
    morpholine-4-carbaldehyde 25.52
    sulfolane 37.08
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 1.04
    n-hexyl acetate 0.57
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 4.52
    sec-butyl acetate 0.19
    tert-butyl acetate 0.68
    decalin 0.06
    glycerin 76.96
    diglyme 6.18
    acrylic acid 15.11
    isopropyl myristate 0.23
    n-butyric acid 3.88
    acetyl acetate 0.47
    di(2-ethylhexyl) phthalate 0.93
    ethyl propionate 0.54
    nitromethane 14.67
    1,2-diethoxyethane 0.39
    benzonitrile 0.32
    trioctyl phosphate 0.67
    1-bromopropane 0.15
    gamma-valerolactone 10.58
    n-decanol 0.37
    triethyl phosphate 1.06
    4-methyl-2-pentanol 0.57
    propionitrile 0.62
    vinylene carbonate 2.59
    1,1,2-trichlorotrifluoroethane 16.36
    DMS 0.87
    cumene 0.15
    2-octanol 0.35
    2-hexanone 0.6
    octyl acetate 0.37
    limonene 0.42
    1,2-dimethoxyethane 5.59
    ethyl orthosilicate 0.83
    tributyl phosphate 0.77
    diacetone alcohol 4.21
    N,N-dimethylaniline 0.86
    acrylonitrile 1.43
    aniline 0.42
    1,3-propanediol 18.48
    bromobenzene 0.05
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 0.75
    2-methyl-cyclohexyl acetate 0.75
    tetrabutyl urea 1.71
    diisobutyl methanol 0.5
    2-phenylethanol 0.82
    styrene 0.08
    dioctyl adipate 0.56
    dimethyl sulfate 9.76
    ethyl butyrate 0.67
    methyl lactate 7.66
    butyl lactate 1.95
    diethyl carbonate 0.57
    propanediol butyl ether 5.29
    triethyl orthoformate 0.75
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 2.22
    morpholine 2.16
    tert-butylamine 1.53
    n-dodecanol 0.25
    dimethoxymethane 6.59
    ethylene carbonate 1.47
    cyrene 8.35
    2-ethoxyethyl acetate 0.59
    2-ethylhexyl acetate 0.47
    1,2,4-trichlorobenzene 0.28
    4-methylpyridine 0.57
    dibutyl ether 0.19
    2,6-dimethyl-4-heptanol 0.5
    DEF 5.42
    dimethyl isosorbide 6.58
    tetrachloroethylene 1.04
    eugenol 2.96
    triacetin 1.19
    span 80 3.18
    1,4-butanediol 6.59
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 0.84
    methyl formate 22.81
    2-methyl-1-butanol 1.87
    n-decane 0.04
    butyronitrile 0.41
    3,7-dimethyl-1-octanol 0.5
    1-chlorooctane 0.11
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 2.4
    tetrahydropyran 0.4
    tert-amyl methyl ether 0.93
    2,5,8-trioxanonane 6.09
    1-hexene 0.18
    2-isopropoxyethanol 2.07
    2,2,2-trifluoroethanol 12.78
    methyl butyrate 1.02

    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