6-Deoxyfagomine

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  • Identifiers

    CAS number
    197449-09-5

    Molecular formula
    C6H13NO2

    SMILES
    CC1C(C(CCN1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.31%
    Sweet 36.17%
    Fishy 32.14%
    Caramellic 22.84%
    Burnt 19.37%
    Smoky 18.12%
    Nutty 17.68%
    Woody 17.66%
    Alcoholic 16.15%
    Savory 15.49%

     

    Flavor
    Sweet 61.69%
    Odorless 44.3%
    Bitter 43.67%
    Sweet-like 27.27%
    Cauliflower 22.83%
    Alkaline 22.27%
    Mentholic 21.24%
    Very slight 21.21%
    Fenugreek 20.18%
    Soup 20.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.37 (neutral)

    Molecular weight
    131.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    267°C

    Flash point

    • 124.19 ˚C est.

  • Synonyms

    • 6-Deoxyfagomine
    • Fagomine, 6-deoxy-
    • 197449-09-5
    • 3,4-Piperidinediol, 2-methyl-, (2R,3R,4R)-
    • RefChem:104539
    • 2-methylpiperidine-3,4-diol
    • 6-Deoxy-fagomine
    • (-)-6-Deoxy-fagomine
    • SCHEMBL3199264
    • CHEBI:172323
    • 197449-09-5

  • Applications

    6-Deoxyfagomine (CAS 197449-09-5) is primarily used as a chiral building block and synthetic intermediate in medicinal chemistry, especially for designing and synthesizing azasugar-type iminosugars and related analogs. In pharmaceutical research it is commonly evaluated as a scaffold for enzyme-inhibitor libraries and structure-activity relationship (SAR) studies. It also serves as a reagent in carbohydrate-chemistry workflows, enabling stereoselective synthesis and manipulation of functional groups in azabicyclic sugar mimetics. As an intermediate, it may be used in scalable routes for preparing iminosugar analogs and exploring structure-activity relationships. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.96
    methanol 124.08
    isopropanol 6.76
    water 538.89
    ethyl acetate 5.25
    n-propanol 13.08
    acetone 3.38
    n-butanol 10.37
    acetonitrile 3.85
    DMF 18.29
    toluene 0.74
    isobutanol 8.95
    1,4-dioxane 11.14
    methyl acetate 2.77
    THF 23.69
    2-butanone 2.69
    n-pentanol 5.48
    sec-butanol 5.75
    n-hexane 0.23
    ethylene glycol 94.96
    NMP 73.03
    cyclohexane 0.59
    DMSO 123.44
    n-butyl acetate 5.91
    n-octanol 4.34
    chloroform 3.66
    n-propyl acetate 2.65
    acetic acid 236.46
    dichloromethane 3.99
    cyclohexanone 14.34
    propylene glycol 36.95
    isopropyl acetate 3.68
    DMAc 24.25
    2-ethoxyethanol 32.87
    isopentanol 8.84
    n-heptane 0.87
    ethyl formate 9.71
    1,2-dichloroethane 2.28
    n-hexanol 10.47
    2-methoxyethanol 72.09
    isobutyl acetate 1.88
    tetrachloromethane 2.41
    n-pentyl acetate 4.72
    transcutol 80.47
    n-heptanol 8.36
    ethylbenzene 0.43
    MIBK 3.89
    2-propoxyethanol 36.32
    tert-butanol 8.31
    MTBE 1.85
    2-butoxyethanol 23.35
    propionic acid 40.75
    o-xylene 1.5
    formic acid 806.97
    diethyl ether 1.98
    m-xylene 1.68
    p-xylene 0.68
    chlorobenzene 1.61
    dimethyl carbonate 2.41
    n-octane 0.42
    formamide 360.64
    cyclopentanone 21.06
    2-pentanone 4.04
    anisole 1.47
    cyclopentyl methyl ether 8.95
    gamma-butyrolactone 43.68
    1-methoxy-2-propanol 28.31
    pyridine 5.7
    3-pentanone 2.6
    furfural 53.36
    n-dodecane 0.27
    diethylene glycol 74.01
    diisopropyl ether 1.26
    tert-amyl alcohol 8.43
    acetylacetone 8.11
    n-hexadecane 0.29
    acetophenone 3.24
    methyl propionate 4.64
    isopentyl acetate 5.77
    trichloroethylene 5.2
    n-nonanol 4.02
    cyclohexanol 11.63
    benzyl alcohol 5.13
    2-ethylhexanol 5.61
    isooctanol 6.66
    dipropyl ether 3.13
    1,2-dichlorobenzene 2.3
    ethyl lactate 5.99
    propylene carbonate 18.92
    n-methylformamide 38.47
    2-pentanol 4.7
    n-pentane 0.34
    1-propoxy-2-propanol 21.07
    1-methoxy-2-propyl acetate 10.44
    2-(2-methoxypropoxy) propanol 19.36
    mesitylene 1.69
    ε-caprolactone 20.44
    p-cymene 1.94
    epichlorohydrin 17.39
    1,1,1-trichloroethane 1.79
    2-aminoethanol 85.46
    morpholine-4-carbaldehyde 55.65
    sulfolane 91.43
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 11.19
    n-hexyl acetate 5.23
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 28.86
    sec-butyl acetate 1.83
    tert-butyl acetate 4.95
    decalin 0.36
    glycerin 125.12
    diglyme 42.09
    acrylic acid 55.57
    isopropyl myristate 2.09
    n-butyric acid 42.63
    acetyl acetate 5.38
    di(2-ethylhexyl) phthalate 5.68
    ethyl propionate 2.15
    nitromethane 69.37
    1,2-diethoxyethane 6.33
    benzonitrile 3.97
    trioctyl phosphate 4.55
    1-bromopropane 0.93
    gamma-valerolactone 48.61
    n-decanol 2.93
    triethyl phosphate 3.75
    4-methyl-2-pentanol 4.4
    propionitrile 2.53
    vinylene carbonate 15.89
    1,1,2-trichlorotrifluoroethane 57.48
    DMS 3.89
    cumene 0.74
    2-octanol 3.64
    2-hexanone 1.92
    octyl acetate 3.1
    limonene 2.73
    1,2-dimethoxyethane 12.94
    ethyl orthosilicate 3.88
    tributyl phosphate 4.72
    diacetone alcohol 15.2
    N,N-dimethylaniline 2.03
    acrylonitrile 4.54
    aniline 5.29
    1,3-propanediol 81.74
    bromobenzene 1.08
    dibromomethane 2.17
    1,1,2,2-tetrachloroethane 4.72
    2-methyl-cyclohexyl acetate 5.0
    tetrabutyl urea 6.03
    diisobutyl methanol 4.2
    2-phenylethanol 8.33
    styrene 0.41
    dioctyl adipate 4.01
    dimethyl sulfate 9.45
    ethyl butyrate 4.49
    methyl lactate 13.7
    butyl lactate 9.52
    diethyl carbonate 2.48
    propanediol butyl ether 22.76
    triethyl orthoformate 4.53
    p-tert-butyltoluene 1.98
    methyl 4-tert-butylbenzoate 10.66
    morpholine 17.22
    tert-butylamine 3.33
    n-dodecanol 2.18
    dimethoxymethane 8.04
    ethylene carbonate 11.82
    cyrene 25.79
    2-ethoxyethyl acetate 8.01
    2-ethylhexyl acetate 4.07
    1,2,4-trichlorobenzene 3.3
    4-methylpyridine 3.91
    dibutyl ether 1.9
    2,6-dimethyl-4-heptanol 4.2
    DEF 9.02
    dimethyl isosorbide 31.88
    tetrachloroethylene 7.82
    eugenol 13.53
    triacetin 8.44
    span 80 19.95
    1,4-butanediol 28.74
    1,1-dichloroethane 1.12
    2-methyl-1-pentanol 5.0
    methyl formate 21.28
    2-methyl-1-butanol 8.56
    n-decane 0.43
    butyronitrile 3.47
    3,7-dimethyl-1-octanol 4.78
    1-chlorooctane 1.14
    1-chlorotetradecane 0.56
    n-nonane 0.41
    undecane 0.33
    tert-butylcyclohexane 0.34
    cyclooctane 0.49
    cyclopentanol 18.41
    tetrahydropyran 4.91
    tert-amyl methyl ether 2.42
    2,5,8-trioxanonane 35.55
    1-hexene 0.44
    2-isopropoxyethanol 14.3
    2,2,2-trifluoroethanol 107.95
    methyl butyrate 3.58

    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