3-Hydroxyaspartic acid

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  • Identifiers

    CAS number
    1860-87-3

    Molecular formula
    C4H7NO5

    SMILES
    C(C(C(=O)O)O)(C(=O)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.79%
    Sweet 26.69%
    Savory 25.14%
    Caramellic 24.98%
    Sour 19.59%
    Burnt 18.26%
    Buttery 18.24%
    Milky 17.17%
    Sharp 17.06%
    Bitter 16.42%

     

    Flavor
    Odorless 73.95%
    Very mild 34.77%
    Mild 30.26%
    Bland 27.13%
    Sour 25.18%
    Yeast 23.53%
    Sweet-like 23.34%
    Caramellic 21.5%
    Faint 20.03%
    Formyl 19.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.4

    pKa est.
    4.44 (weak acid)

    Molecular weight
    149.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 200.94 ˚C est.

  • Synonyms

    • 3-Hydroxyaspartic acid
    • 3-aminomalic acid
    • 1860-87-3
    • DL-threo-3-Hydroxyaspartic acid
    • CHEBI:83981
    • RefChem:911391
    • 3-hydroxyaspartic acid, (erythro)-
    • threo-hydroxyaspartic acid
    • 71653-06-0
    • 2-Amino-3-hydroxysuccinic Acid
    • 2-amino-3-hydroxybutanedioic acid
    • d,l-threo-3-HYDROXYASPARTIC ACID
    • Aspartic acid, 3-hydroxy-
    • 3-Hydroxy-DL-aspartic acid
    • MFCD00128126
    • Malic acid, 3-amino-
    • 4294-45-5
    • 2-amino-3-hydroxy-butanedioic acid
    • NSC618260
    • 99A78V5YX2
    • DL-Threo-.beta.-hydroxyaspartic acid
    • NSC-84663
    • 3-hydroxy-aspartic acid
    • NSC 139979;threo-beta-Hydroxy-L-aspartic acid
    • C4H7NO5
    • threo-beta-Hydroxyaspartate
    • threo-3-Hydroxy-L-aspartic acid
    • NSC-139979
    • NSC-158205
    • 5753-30-0
    • 6532-76-9
    • EINECS 275-771-1
    • NSC 84663
    • Spectrum_001134
    • D -(+)-THREO -BETA-HYDROXYASPARTIC ACID
    • (2R,3S)-2-AMINO-3-HYDROXY-SUCCINIC ACID
    • Spectrum2_001914
    • Spectrum3_001123
    • Spectrum4_001967
    • Spectrum5_000765
    • Aspartic acid, DL-erythro-
    • DL-Aspartic acid, erythro-
    • BSPBio_002585
    • KBioGR_002438
    • KBioSS_001614
    • SPECTRUM501000
    • beta-Hydroxy-DL-aspartic acid
    • SCHEMBL336363
    • UNII-99A78V5YX2
    • SPBio_001908
    • erythro-3-Hydroxy-DL-aspartate
    • orb1737665
    • CHEMBL3039080
    • KBio2_001614
    • KBio2_004182
    • KBio2_006750
    • KBio3_002085
    • DTXSID20875575
    • 3-amino-2-hydroxybutanedioic acid
    • YYLQUHNPNCGKJQ-UHFFFAOYSA-N
    • NSC84663
    • .beta.-erythro-Hydroxy-DL-aspartate
    • CCG-38483
    • NSC119128
    • NSC119129
    • NSC139979
    • NSC158204
    • NSC158205
    • AKOS022145819
    • DL-ASPARTIC ACID, 3-HYDROXY-
    • DL-erythro-.beta.-Hydroxyaspartic acid
    • NSC-119128
    • NSC-119129
    • NSC-158204
    • NSC-618260
    • SDCCGMLS-0066971.P001
    • .BETA.-HYDROXY-DL-ASPARTIC ACID
    • erythro-.beta.-Hydroxy-DL-aspartic acid
    • NCGC00015504-02
    • NCGC00095968-01
    • AS-87846
    • SY029821
    • D-Aspartic acid,3-hydroxy-, (3R)-rel-
    • DB-050999
    • CS-0206811
    • H0947
    • ST45022104
    • D90978
    • D-Aspartic acid,3-hydroxy-, (3R)- Catalog NuMber
    • Q27157362
    • 1860-87-3

  • Applications

    3-Hydroxyaspartic acid (CAS 1860-87-3), a β-hydroxy derivative of aspartic acid, is used as a chemical building block and intermediate in pharmaceutical and agrochemical syntheses. It can also serve as a metal-chelating ligand and as a precursor for biodegradable poly(aspartic acid)-type polymers; in formulation contexts it may be used in cosmetics/personal care as a conditioning or humectant-like ingredient, and in cleaning, coatings/inks and industrial formulations as a chelating or dispersing additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.48
    methanol 0.92
    isopropanol 0.35
    water 25.98
    ethyl acetate 0.33
    n-propanol 0.31
    acetone 2.52
    n-butanol 0.24
    acetonitrile 0.31
    DMF 17.89
    toluene 0.25
    isobutanol 0.21
    1,4-dioxane 3.86
    methyl acetate 0.33
    THF 2.41
    2-butanone 0.58
    n-pentanol 0.18
    sec-butanol 0.31
    n-hexane 0.13
    ethylene glycol 9.94
    NMP 21.62
    cyclohexane 0.26
    DMSO 53.23
    n-butyl acetate 0.22
    n-octanol 0.24
    chloroform 0.1
    n-propyl acetate 0.16
    acetic acid 2.3
    dichloromethane 0.19
    cyclohexanone 1.24
    propylene glycol 2.69
    isopropyl acetate 0.31
    DMAc 16.84
    2-ethoxyethanol 3.19
    isopentanol 0.3
    n-heptane 0.38
    ethyl formate 0.53
    1,2-dichloroethane 0.29
    n-hexanol 0.44
    2-methoxyethanol 8.1
    isobutyl acetate 0.05
    tetrachloromethane 0.23
    n-pentyl acetate 0.17
    transcutol 1.78
    n-heptanol 0.45
    ethylbenzene 0.18
    MIBK 0.55
    2-propoxyethanol 2.69
    tert-butanol 1.03
    MTBE 0.42
    2-butoxyethanol 1.58
    propionic acid 0.56
    o-xylene 0.59
    formic acid 19.0
    diethyl ether 0.38
    m-xylene 0.39
    p-xylene 0.21
    chlorobenzene 0.05
    dimethyl carbonate 1.2
    n-octane 0.13
    formamide 13.74
    cyclopentanone 2.06
    2-pentanone 0.71
    anisole 0.32
    cyclopentyl methyl ether 1.33
    gamma-butyrolactone 2.14
    1-methoxy-2-propanol 4.49
    pyridine 0.56
    3-pentanone 0.72
    furfural 3.34
    n-dodecane 0.06
    diethylene glycol 9.25
    diisopropyl ether 0.25
    tert-amyl alcohol 0.9
    acetylacetone 2.13
    n-hexadecane 0.07
    acetophenone 0.51
    methyl propionate 0.66
    isopentyl acetate 0.18
    trichloroethylene 0.29
    n-nonanol 0.26
    cyclohexanol 0.65
    benzyl alcohol 0.41
    2-ethylhexanol 0.35
    isooctanol 0.33
    dipropyl ether 0.62
    1,2-dichlorobenzene 0.1
    ethyl lactate 0.65
    propylene carbonate 0.64
    n-methylformamide 4.39
    2-pentanol 0.28
    n-pentane 0.1
    1-propoxy-2-propanol 1.57
    1-methoxy-2-propyl acetate 0.77
    2-(2-methoxypropoxy) propanol 1.44
    mesitylene 0.44
    ε-caprolactone 0.9
    p-cymene 0.29
    epichlorohydrin 1.11
    1,1,1-trichloroethane 0.15
    2-aminoethanol 3.69
    morpholine-4-carbaldehyde 15.5
    sulfolane 13.0
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 0.95
    n-hexyl acetate 0.19
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 1.73
    sec-butyl acetate 0.11
    tert-butyl acetate 0.62
    decalin 0.13
    glycerin 16.69
    diglyme 4.23
    acrylic acid 1.21
    isopropyl myristate 0.12
    n-butyric acid 0.45
    acetyl acetate 0.34
    di(2-ethylhexyl) phthalate 0.19
    ethyl propionate 0.27
    nitromethane 4.39
    1,2-diethoxyethane 0.42
    benzonitrile 0.15
    trioctyl phosphate 0.22
    1-bromopropane 0.09
    gamma-valerolactone 4.75
    n-decanol 0.23
    triethyl phosphate 0.41
    4-methyl-2-pentanol 0.26
    propionitrile 0.13
    vinylene carbonate 0.49
    1,1,2-trichlorotrifluoroethane 4.92
    DMS 0.3
    cumene 0.18
    2-octanol 0.25
    2-hexanone 0.26
    octyl acetate 0.17
    limonene 0.42
    1,2-dimethoxyethane 4.19
    ethyl orthosilicate 0.39
    tributyl phosphate 0.17
    diacetone alcohol 2.65
    N,N-dimethylaniline 0.8
    acrylonitrile 0.27
    aniline 0.43
    1,3-propanediol 2.9
    bromobenzene 0.06
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.43
    2-methyl-cyclohexyl acetate 0.24
    tetrabutyl urea 0.54
    diisobutyl methanol 0.38
    2-phenylethanol 0.47
    styrene 0.12
    dioctyl adipate 0.15
    dimethyl sulfate 5.89
    ethyl butyrate 0.28
    methyl lactate 2.4
    butyl lactate 0.41
    diethyl carbonate 0.16
    propanediol butyl ether 1.15
    triethyl orthoformate 0.38
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 1.04
    morpholine 2.98
    tert-butylamine 0.39
    n-dodecanol 0.19
    dimethoxymethane 5.74
    ethylene carbonate 0.38
    cyrene 3.51
    2-ethoxyethyl acetate 0.29
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.14
    4-methylpyridine 0.5
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.38
    DEF 2.84
    dimethyl isosorbide 2.78
    tetrachloroethylene 0.61
    eugenol 1.14
    triacetin 0.34
    span 80 1.07
    1,4-butanediol 1.31
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.19
    methyl formate 3.96
    2-methyl-1-butanol 0.27
    n-decane 0.09
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.11
    1-chlorotetradecane 0.07
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.08
    cyclooctane 0.25
    cyclopentanol 0.84
    tetrahydropyran 0.65
    tert-amyl methyl ether 0.61
    2,5,8-trioxanonane 3.92
    1-hexene 0.11
    2-isopropoxyethanol 1.38
    2,2,2-trifluoroethanol 4.25
    methyl butyrate 0.36

    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