Tricholomic acid

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  • Identifiers

    CAS number
    2644-49-7

    Molecular formula
    C5H8N2O4

    SMILES
    C1[C@H](ONC1=O)[C@@H](C(=O)O)N

  • Odor profile

    Odorless 77.5%
    Sweet 33.05%
    Savory 24.11%
    Caramellic 20.23%
    Burnt 17.77%
    Cooked 16.36%
    Nutty 15.96%
    Ethereal 15.67%
    Buttery 15.66%
    Roasted 15.65%

    Scent© AI

  • Properties

    XLogP3-AA
    -4.2

    Molecular weight
    160.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    417°C

    Flash point est.
    208.33 ˚C

  • Synonyms

    • Tricholomic acid
    • CHEBI:9690
    • CHEMBL260328
    • alpha-Amino-3-oxo-5-isoxazolidineacetic acid
    • (2S)-2-amino-2-[(5S)-3-oxo-1,2-oxazolidin-5-yl]acetic acid
    • (2S)-amino[(5S)-3-oxoisoxazolidin-5-yl]acetic acid
    • 2644-49-7
    • amino-(3'-hydroxy-4',5'-dihydroisoxazol-5'-yl)acetic acid
    • DTXSID80949327
    • BDBM50373180
    • C08298
    • Q27108469
    • rel-(alphaR,5R)-I+/--Amino-3-oxo-5-isoxazolidineacetic acid

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.88
    methanol 3.35
    isopropanol 0.57
    water 140.58
    ethyl acetate 0.49
    n-propanol 0.48
    acetone 1.84
    n-butanol 0.47
    acetonitrile 1.11
    DMF 88.62
    toluene 0.17
    isobutanol 0.42
    1,4-dioxane 2.51
    methyl acetate 0.48
    THF 3.31
    2-butanone 0.85
    n-pentanol 0.34
    sec-butanol 0.45
    n-hexane 0.09
    ethylene glycol 10.6
    NMP 91.83
    cyclohexane 0.1
    DMSO 148.88
    n-butyl acetate 0.48
    n-octanol 0.34
    chloroform 0.09
    n-propyl acetate 0.37
    acetic acid 9.26
    dichloromethane 0.22
    cyclohexanone 2.81
    propylene glycol 5.75
    isopropyl acetate 0.43
    DMAc 55.72
    2-ethoxyethanol 6.07
    isopentanol 0.62
    n-heptane 0.16
    ethyl formate 1.57
    1,2-dichloroethane 0.23
    n-hexanol 0.55
    2-methoxyethanol 15.45
    isobutyl acetate 0.19
    tetrachloromethane 0.09
    n-pentyl acetate 0.35
    transcutol 7.41
    n-heptanol 0.51
    ethylbenzene 0.15
    MIBK 0.78
    2-propoxyethanol 5.14
    tert-butanol 1.18
    MTBE 0.31
    2-butoxyethanol 3.05
    propionic acid 1.83
    o-xylene 0.36
    formic acid 112.49
    diethyl ether 0.38
    m-xylene 0.25
    p-xylene 0.25
    chlorobenzene 0.1
    dimethyl carbonate 1.63
    n-octane 0.06
    formamide 71.32
    cyclopentanone 4.55
    2-pentanone 0.96
    anisole 0.46
    cyclopentyl methyl ether 1.41
    gamma-butyrolactone 7.54
    1-methoxy-2-propanol 7.58
    pyridine 1.21
    3-pentanone 0.83
    furfural 12.92
    n-dodecane 0.03
    diethylene glycol 15.17
    diisopropyl ether 0.17
    tert-amyl alcohol 0.88
    acetylacetone 2.41
    n-hexadecane 0.03
    acetophenone 1.05
    methyl propionate 1.04
    isopentyl acetate 0.5
    trichloroethylene 0.31
    n-nonanol 0.37
    cyclohexanol 0.84
    benzyl alcohol 0.78
    2-ethylhexanol 0.41
    isooctanol 0.43
    dipropyl ether 0.64
    1,2-dichlorobenzene 0.17
    ethyl lactate 1.61
    propylene carbonate 2.87
    n-methylformamide 20.46
    2-pentanol 0.39
    n-pentane 0.07
    1-propoxy-2-propanol 2.68
    1-methoxy-2-propyl acetate 1.54
    2-(2-methoxypropoxy) propanol 4.13
    mesitylene 0.24
    ε-caprolactone 3.0
    p-cymene 0.25
    epichlorohydrin 2.39
    1,1,1-trichloroethane 0.09
    2-aminoethanol 6.99
    morpholine-4-carbaldehyde 41.73
    sulfolane 31.49
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.28
    n-hexyl acetate 0.46
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 4.76
    sec-butyl acetate 0.23
    tert-butyl acetate 0.66
    decalin 0.05
    glycerin 29.87
    diglyme 8.74
    acrylic acid 4.42
    isopropyl myristate 0.23
    n-butyric acid 1.57
    acetyl acetate 0.57
    di(2-ethylhexyl) phthalate 0.66
    ethyl propionate 0.49
    nitromethane 15.31
    1,2-diethoxyethane 0.77
    benzonitrile 0.59
    trioctyl phosphate 0.5
    1-bromopropane 0.09
    gamma-valerolactone 15.84
    n-decanol 0.29
    triethyl phosphate 0.86
    4-methyl-2-pentanol 0.34
    propionitrile 0.47
    vinylene carbonate 2.72
    1,1,2-trichlorotrifluoroethane 8.47
    DMS 0.73
    cumene 0.16
    2-octanol 0.28
    2-hexanone 0.48
    octyl acetate 0.33
    limonene 0.34
    1,2-dimethoxyethane 6.7
    ethyl orthosilicate 0.7
    tributyl phosphate 0.52
    diacetone alcohol 3.41
    N,N-dimethylaniline 0.83
    acrylonitrile 1.2
    aniline 0.48
    1,3-propanediol 4.9
    bromobenzene 0.07
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 0.31
    2-methyl-cyclohexyl acetate 0.69
    tetrabutyl urea 1.21
    diisobutyl methanol 0.36
    2-phenylethanol 0.74
    styrene 0.12
    dioctyl adipate 0.51
    dimethyl sulfate 8.27
    ethyl butyrate 0.68
    methyl lactate 5.36
    butyl lactate 1.24
    diethyl carbonate 0.47
    propanediol butyl ether 3.73
    triethyl orthoformate 0.74
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 1.92
    morpholine 3.96
    tert-butylamine 0.37
    n-dodecanol 0.22
    dimethoxymethane 7.88
    ethylene carbonate 1.74
    cyrene 10.56
    2-ethoxyethyl acetate 0.73
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 0.23
    4-methylpyridine 1.18
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.36
    DEF 5.26
    dimethyl isosorbide 7.32
    tetrachloroethylene 0.34
    eugenol 2.68
    triacetin 1.22
    span 80 2.78
    1,4-butanediol 2.35
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 0.39
    methyl formate 11.91
    2-methyl-1-butanol 0.54
    n-decane 0.06
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.09
    1-chlorotetradecane 0.05
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.04
    cyclooctane 0.07
    cyclopentanol 1.17
    tetrahydropyran 0.72
    tert-amyl methyl ether 0.46
    2,5,8-trioxanonane 7.89
    1-hexene 0.14
    2-isopropoxyethanol 2.49
    2,2,2-trifluoroethanol 9.46
    methyl butyrate 0.84

    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