Pyrosaccharopine

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  • Identifiers

    CAS number
    38495-84-0

    Molecular formula
    C11H18N2O5

    SMILES
    C1CC(=O)N([C@@H]1C(=O)O)CCCC[C@@H](C(=O)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.67%
    Savory 33.78%
    Sweet 29.52%
    Cooling 24.18%
    Meaty 21.16%
    Milky 18.7%
    Fishy 18.3%
    Cooked 15.67%
    Bitter 15.49%
    Alcoholic 15.42%

     

    Flavor
    Odorless 58.4%
    Bitter 58.32%
    Bland 32.12%
    Mild 29.46%
    Sweet-like 23.41%
    Very mild 22.89%
    Yeast 21.63%
    Nitrile 20.38%
    Cedarleaf 20.07%
    Faint 20.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.1

    pKa est.
    5.13 (weak acid)

    Molecular weight
    258.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Flash point

    • 252.09 ˚C est.

  • Synonyms

    • Pyrosaccharopine
    • Pyrosaccharopin
    • L-Pyrosaccharopine
    • Saccharopine lactam
    • OUN2F25T6S
    • UNII-OUN2F25T6S
    • 38495-84-0
    • (S)-1-((S)-5-Amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid
    • 1-Pyrrolidinehexanoic acid, alpha-amino-2-carboxy-5-oxo-
    • DTXSID201166106
    • 1-[(5S)-5-Amino-5-carboxypentyl]-5-oxo-L-proline
    • 1-PYRROLIDINEHEXANOIC ACID, .ALPHA.-AMINO-2-CARBOXY-5-OXO-
    • 1-Pyrrolidinehexanoic acid, I+/--amino-2-carboxy-5-oxo-, [S-(R*,R*)]-
    • 38495-84-0

  • Applications

    Pyrosaccharopine (CAS 38495-84-0) is primarily used as an intermediate in organic synthesis to access amino acid derivatives and heterocyclic compounds; it can also serve as a precursor or ligand in coordination chemistry and catalysis; it is employed as a building block in specialty polymers or crosslinking formulations; in pharmaceutical and medicinal chemistry it is evaluated as an intermediate or research reagent; and it is used as a research reagent in enzymology and studies of metabolic pathways. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.17
    methanol 25.94
    isopropanol 2.04
    water 54.47
    ethyl acetate 0.98
    n-propanol 1.94
    acetone 1.34
    n-butanol 1.81
    acetonitrile 0.87
    DMF 41.91
    toluene 0.33
    isobutanol 1.29
    1,4-dioxane 3.58
    methyl acetate 0.68
    THF 5.32
    2-butanone 0.92
    n-pentanol 1.44
    sec-butanol 1.46
    n-hexane 0.09
    ethylene glycol 26.71
    NMP 47.03
    cyclohexane 0.1
    DMSO 217.21
    n-butyl acetate 0.67
    n-octanol 0.56
    chloroform 0.66
    n-propyl acetate 0.62
    acetic acid 30.93
    dichloromethane 1.04
    cyclohexanone 5.02
    propylene glycol 14.72
    isopropyl acetate 0.85
    DMAc 57.46
    2-ethoxyethanol 21.5
    isopentanol 2.13
    n-heptane 0.05
    ethyl formate 2.78
    1,2-dichloroethane 0.94
    n-hexanol 1.23
    2-methoxyethanol 51.81
    isobutyl acetate 0.29
    tetrachloromethane 0.26
    n-pentyl acetate 0.64
    transcutol 19.92
    n-heptanol 1.0
    ethylbenzene 0.32
    MIBK 1.25
    2-propoxyethanol 10.54
    tert-butanol 2.98
    MTBE 0.56
    2-butoxyethanol 5.55
    propionic acid 4.35
    o-xylene 0.56
    formic acid 221.26
    diethyl ether 0.56
    m-xylene 0.4
    p-xylene 0.45
    chlorobenzene 0.31
    dimethyl carbonate 1.9
    n-octane 0.05
    formamide 178.25
    cyclopentanone 5.86
    2-pentanone 1.29
    anisole 0.76
    cyclopentyl methyl ether 1.6
    gamma-butyrolactone 9.92
    1-methoxy-2-propanol 18.81
    pyridine 2.48
    3-pentanone 1.0
    furfural 19.51
    n-dodecane 0.03
    diethylene glycol 31.02
    diisopropyl ether 0.22
    tert-amyl alcohol 2.68
    acetylacetone 3.78
    n-hexadecane 0.04
    acetophenone 1.86
    methyl propionate 1.42
    isopentyl acetate 0.99
    trichloroethylene 1.77
    n-nonanol 0.66
    cyclohexanol 2.37
    benzyl alcohol 2.46
    2-ethylhexanol 0.64
    isooctanol 0.85
    dipropyl ether 0.45
    1,2-dichlorobenzene 0.51
    ethyl lactate 2.47
    propylene carbonate 4.38
    n-methylformamide 23.17
    2-pentanol 1.06
    n-pentane 0.06
    1-propoxy-2-propanol 4.43
    1-methoxy-2-propyl acetate 2.68
    2-(2-methoxypropoxy) propanol 6.99
    mesitylene 0.33
    ε-caprolactone 5.78
    p-cymene 0.31
    epichlorohydrin 6.63
    1,1,1-trichloroethane 0.35
    2-aminoethanol 25.33
    morpholine-4-carbaldehyde 39.21
    sulfolane 40.63
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 1.75
    n-hexyl acetate 0.79
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 9.28
    sec-butyl acetate 0.45
    tert-butyl acetate 1.16
    decalin 0.07
    glycerin 59.22
    diglyme 15.11
    acrylic acid 9.1
    isopropyl myristate 0.33
    n-butyric acid 5.74
    acetyl acetate 1.21
    di(2-ethylhexyl) phthalate 1.27
    ethyl propionate 0.74
    nitromethane 24.34
    1,2-diethoxyethane 1.44
    benzonitrile 1.2
    trioctyl phosphate 0.81
    1-bromopropane 0.3
    gamma-valerolactone 25.2
    n-decanol 0.51
    triethyl phosphate 1.14
    4-methyl-2-pentanol 0.85
    propionitrile 0.58
    vinylene carbonate 4.31
    1,1,2-trichlorotrifluoroethane 25.55
    DMS 1.56
    cumene 0.32
    2-octanol 0.55
    2-hexanone 0.79
    octyl acetate 0.51
    limonene 0.35
    1,2-dimethoxyethane 11.98
    ethyl orthosilicate 0.99
    tributyl phosphate 0.87
    diacetone alcohol 6.79
    N,N-dimethylaniline 1.15
    acrylonitrile 1.51
    aniline 1.31
    1,3-propanediol 27.44
    bromobenzene 0.24
    dibromomethane 0.51
    1,1,2,2-tetrachloroethane 1.88
    2-methyl-cyclohexyl acetate 1.04
    tetrabutyl urea 1.71
    diisobutyl methanol 0.49
    2-phenylethanol 1.96
    styrene 0.26
    dioctyl adipate 0.78
    dimethyl sulfate 8.44
    ethyl butyrate 0.73
    methyl lactate 7.33
    butyl lactate 2.36
    diethyl carbonate 0.61
    propanediol butyl ether 6.82
    triethyl orthoformate 1.0
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 3.25
    morpholine 6.45
    tert-butylamine 0.83
    n-dodecanol 0.38
    dimethoxymethane 8.34
    ethylene carbonate 3.03
    cyrene 12.86
    2-ethoxyethyl acetate 1.59
    2-ethylhexyl acetate 0.64
    1,2,4-trichlorobenzene 0.77
    4-methylpyridine 1.87
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.49
    DEF 5.65
    dimethyl isosorbide 10.27
    tetrachloroethylene 1.73
    eugenol 4.78
    triacetin 2.03
    span 80 5.12
    1,4-butanediol 10.71
    1,1-dichloroethane 0.31
    2-methyl-1-pentanol 1.81
    methyl formate 13.3
    2-methyl-1-butanol 1.76
    n-decane 0.06
    butyronitrile 0.74
    3,7-dimethyl-1-octanol 0.62
    1-chlorooctane 0.17
    1-chlorotetradecane 0.08
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.05
    cyclooctane 0.06
    cyclopentanol 2.9
    tetrahydropyran 1.16
    tert-amyl methyl ether 0.8
    2,5,8-trioxanonane 13.24
    1-hexene 0.23
    2-isopropoxyethanol 6.64
    2,2,2-trifluoroethanol 20.36
    methyl butyrate 1.28

    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