(S)-2-Aminooctanedioic acid

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  • Identifiers

    CAS number
    4254-88-0

    Molecular formula
    C8H15NO4

    SMILES
    C(CC[C@@H](C(=O)O)N)CCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 63.17%
    Savory 38.38%
    Meaty 32.12%
    Milky 24.09%
    Sweet 22.48%
    Cheesy 20.3%
    Sour 19.14%
    Buttery 18.64%
    Cooked 18.61%
    Fatty 17.62%

     

    Flavor
    Odorless 67.74%
    Mild 39.69%
    Bland 29.11%
    Sour 28.27%
    Faint 25.0%
    Yeast 23.86%
    Acidic 23.07%
    Sweet-like 22.32%
    Very mild 22.15%
    Bay oil 21.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.2

    pKa est.
    5.73 (weak acid)

    Molecular weight
    189.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 186.99 ˚C est.

  • Synonyms

    • 4254-88-0
    • (S)-2-Aminooctanedioic acid
    • H-ASU-OH
    • L-alpha-Aminosuberic acid
    • L-2-Aminosuberic acid
    • (2S)-2-Aminooctanedioic acid
    • aminosuberic acid
    • L-?-aminosuberic acid
    • MFCD00037224
    • L-2-aminooctanedioic acid
    • B347Q73CGH
    • H-L-Asu-OH
    • L-a-Aminosuberic acid
    • Octanedioic acid, 2-amino-, (2S)-
    • (S)-2-Aminooctanedioicacid
    • UNII-B347Q73CGH
    • EINECS 224-231-3
    • L-2-amino suberic acid
    • SCHEMBL4881787
    • L-ALFA-AMINOSUBERIC ACID
    • DTXSID90195333
    • L-.ALPHA.-AMINOSUBERIC ACID
    • AKOS016842473
    • L-Asu-OH: L-2-Aminooctanedioic acid
    • .ALPHA.-AMINOSUBERIC ACID, L-
    • FA11664
    • OCTANEDIOIC ACID, 2-AMINO-, L-
    • BS-28028
    • H-ASU-OH; (S)-2-aminooctanedioic acid
    • OCTANEDIOIC ACID, 2-AMINO-, (S)-
    • CS-0199424
    • NS00031211
    • (S)-2-Aminooctanedioic acid;L--Aminosuberic acid
    • 254A880
    • F210069
    • Q27274298
    • 4254-88-0

  • Applications

    (S)-2-Aminooctanedioic acid (CAS 4254-88-0) is a chiral aminodicarboxylic acid used as a building block in pharmaceutical and agrochemical synthesis; it is commonly employed as an intermediate for the preparation of amino acid derivatives and peptidomimetics in medicinal chemistry. It can also serve as a monomer or comonomer for aliphatic biodegradable polymers such as polyamides and polyesters, enabling the design of materials with controlled degradation and mechanical properties. In coordination chemistry and catalysis, the molecule provides a bidentate ligand via the amine and carboxylate groups, suitable for metal complex formation and related catalytic processes. It is often evaluated as a precursor for specialized specialty chemicals and structurally novel compounds used in research and development; practical use depends on formulation conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.21
    methanol 1.5
    isopropanol 0.12
    water 55.5
    ethyl acetate 0.37
    n-propanol 0.11
    acetone 0.2
    n-butanol 0.12
    acetonitrile 0.06
    DMF 4.42
    toluene 0.18
    isobutanol 0.15
    1,4-dioxane 0.29
    methyl acetate 0.11
    THF 1.15
    2-butanone 0.13
    n-pentanol 0.19
    sec-butanol 0.12
    n-hexane 0.1
    ethylene glycol 13.53
    NMP 43.44
    cyclohexane 0.09
    DMSO 43.19
    n-butyl acetate 0.53
    n-octanol 0.24
    chloroform 0.06
    n-propyl acetate 0.27
    acetic acid 9.8
    dichloromethane 0.07
    cyclohexanone 1.55
    propylene glycol 5.51
    isopropyl acetate 0.59
    DMAc 13.63
    2-ethoxyethanol 3.13
    isopentanol 0.36
    n-heptane 0.13
    ethyl formate 0.41
    1,2-dichloroethane 0.1
    n-hexanol 0.59
    2-methoxyethanol 5.72
    isobutyl acetate 0.2
    tetrachloromethane 0.08
    n-pentyl acetate 0.36
    transcutol 10.92
    n-heptanol 0.51
    ethylbenzene 0.24
    MIBK 0.76
    2-propoxyethanol 4.38
    tert-butanol 0.85
    MTBE 0.18
    2-butoxyethanol 2.44
    propionic acid 1.76
    o-xylene 0.62
    formic acid 67.96
    diethyl ether 0.06
    m-xylene 0.49
    p-xylene 0.32
    chlorobenzene 0.09
    dimethyl carbonate 0.87
    n-octane 0.06
    formamide 27.19
    cyclopentanone 1.95
    2-pentanone 0.31
    anisole 0.37
    cyclopentyl methyl ether 1.02
    gamma-butyrolactone 4.38
    1-methoxy-2-propanol 4.05
    pyridine 0.29
    3-pentanone 0.31
    furfural 8.41
    n-dodecane 0.03
    diethylene glycol 17.5
    diisopropyl ether 0.19
    tert-amyl alcohol 0.85
    acetylacetone 2.8
    n-hexadecane 0.04
    acetophenone 1.27
    methyl propionate 0.51
    isopentyl acetate 0.87
    trichloroethylene 0.2
    n-nonanol 0.28
    cyclohexanol 0.69
    benzyl alcohol 0.97
    2-ethylhexanol 0.62
    isooctanol 0.57
    dipropyl ether 0.32
    1,2-dichlorobenzene 0.24
    ethyl lactate 1.98
    propylene carbonate 3.13
    n-methylformamide 1.87
    2-pentanol 0.17
    n-pentane 0.03
    1-propoxy-2-propanol 2.91
    1-methoxy-2-propyl acetate 2.67
    2-(2-methoxypropoxy) propanol 6.42
    mesitylene 0.6
    ε-caprolactone 2.42
    p-cymene 0.52
    epichlorohydrin 0.71
    1,1,1-trichloroethane 0.07
    2-aminoethanol 6.06
    morpholine-4-carbaldehyde 15.45
    sulfolane 37.28
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 0.47
    n-hexyl acetate 0.49
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 6.24
    sec-butyl acetate 0.32
    tert-butyl acetate 1.54
    decalin 0.15
    glycerin 37.02
    diglyme 7.43
    acrylic acid 4.53
    isopropyl myristate 0.32
    n-butyric acid 1.89
    acetyl acetate 0.85
    di(2-ethylhexyl) phthalate 1.37
    ethyl propionate 0.48
    nitromethane 4.17
    1,2-diethoxyethane 0.47
    benzonitrile 0.33
    trioctyl phosphate 0.85
    1-bromopropane 0.03
    gamma-valerolactone 7.28
    n-decanol 0.25
    triethyl phosphate 1.18
    4-methyl-2-pentanol 0.45
    propionitrile 0.06
    vinylene carbonate 2.0
    1,1,2-trichlorotrifluoroethane 9.92
    DMS 1.23
    cumene 0.35
    2-octanol 0.26
    2-hexanone 0.25
    octyl acetate 0.42
    limonene 0.57
    1,2-dimethoxyethane 1.93
    ethyl orthosilicate 1.02
    tributyl phosphate 0.84
    diacetone alcohol 7.44
    N,N-dimethylaniline 1.02
    acrylonitrile 0.17
    aniline 0.41
    1,3-propanediol 3.44
    bromobenzene 0.08
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.3
    2-methyl-cyclohexyl acetate 1.29
    tetrabutyl urea 1.62
    diisobutyl methanol 0.74
    2-phenylethanol 1.31
    styrene 0.15
    dioctyl adipate 0.78
    dimethyl sulfate 6.02
    ethyl butyrate 0.62
    methyl lactate 5.09
    butyl lactate 1.88
    diethyl carbonate 0.48
    propanediol butyl ether 4.28
    triethyl orthoformate 0.85
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 3.91
    morpholine 0.45
    tert-butylamine 0.31
    n-dodecanol 0.22
    dimethoxymethane 1.38
    ethylene carbonate 1.31
    cyrene 14.58
    2-ethoxyethyl acetate 0.84
    2-ethylhexyl acetate 0.59
    1,2,4-trichlorobenzene 0.35
    4-methylpyridine 0.3
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.74
    DEF 1.57
    dimethyl isosorbide 13.33
    tetrachloroethylene 0.44
    eugenol 4.62
    triacetin 2.17
    span 80 5.73
    1,4-butanediol 2.13
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.46
    methyl formate 1.7
    2-methyl-1-butanol 0.26
    n-decane 0.05
    butyronitrile 0.07
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.08
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.11
    cyclooctane 0.11
    cyclopentanol 0.81
    tetrahydropyran 0.12
    tert-amyl methyl ether 0.39
    2,5,8-trioxanonane 10.41
    1-hexene 0.1
    2-isopropoxyethanol 1.93
    2,2,2-trifluoroethanol 7.22
    methyl butyrate 0.63

    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