Niazidin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    198969-42-5

    Molecular formula
    C15H18N2O6S

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CNC(=S)OC#N)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.62%
    Savory 37.18%
    Meaty 35.76%
    Roasted 23.14%
    Cooked 23.06%
    Sulfurous 20.95%
    Milky 17.96%
    Cooling 17.59%
    Bitter 15.79%
    Burnt 15.23%

     

    Flavor
    Bitter 77.95%
    Odorless 44.55%
    Bland 32.0%
    Sweet-like 24.87%
    Mild 22.82%
    Very mild 21.33%
    Nitrile 19.47%
    Cedarleaf 19.42%
    Parsley 18.75%
    Orange flower 18.67%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.86 (neutral)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1244°C

    Flash point

    • 197.79 ˚C est.

  • Synonyms

    • Niazidin
    • SCHEMBL29723303
    • DTXSID001114028
    • 198969-42-5
    • ({4-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]phenyl}methyl)carbamothioyl cyanate
    • Carbamothioic acid, [[4-[(6-deoxy-I+/--L-mannopyranosyl)oxy]phenyl]methyl]-, anhydride with cyanic acid
    • 198969-42-5

  • Applications

    Niazidin, CAS 198969-42-5, is primarily used as an intermediate in organic synthesis and as a solvent or processing aid in chemical manufacturing. It can serve as a stabilizer and chelating agent in various formulations, supporting formulation stability and metal-ion control. In coatings and inks, it may function as a processing additive to enhance performance, and in polymers and plastics it can act as a functional additive to aid processing or compatibility. Its use is typically governed by formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.76
    methanol 25.16
    isopropanol 3.01
    water 5.57
    ethyl acetate 2.63
    n-propanol 3.55
    acetone 23.27
    n-butanol 2.59
    acetonitrile 5.62
    DMF 172.91
    toluene 0.7
    isobutanol 1.31
    1,4-dioxane 16.72
    methyl acetate 4.27
    THF 39.08
    2-butanone 6.64
    n-pentanol 1.6
    sec-butanol 1.86
    n-hexane 0.03
    ethylene glycol 37.29
    NMP 64.77
    cyclohexane 0.13
    DMSO 509.26
    n-butyl acetate 0.92
    n-octanol 2.37
    chloroform 1.51
    n-propyl acetate 1.43
    acetic acid 57.18
    dichloromethane 1.59
    cyclohexanone 12.17
    propylene glycol 26.57
    isopropyl acetate 1.85
    DMAc 160.06
    2-ethoxyethanol 29.3
    isopentanol 1.41
    n-heptane 0.11
    ethyl formate 5.14
    1,2-dichloroethane 1.57
    n-hexanol 1.22
    2-methoxyethanol 75.81
    isobutyl acetate 0.81
    tetrachloromethane 0.27
    n-pentyl acetate 2.27
    transcutol 46.82
    n-heptanol 2.56
    ethylbenzene 0.24
    MIBK 2.3
    2-propoxyethanol 16.4
    tert-butanol 2.4
    MTBE 0.92
    2-butoxyethanol 12.63
    propionic acid 7.63
    o-xylene 0.54
    formic acid 132.96
    diethyl ether 1.24
    m-xylene 0.4
    p-xylene 0.4
    chlorobenzene 0.62
    dimethyl carbonate 11.55
    n-octane 0.09
    formamide 149.29
    cyclopentanone 26.23
    2-pentanone 5.19
    anisole 1.71
    cyclopentyl methyl ether 3.96
    gamma-butyrolactone 26.45
    1-methoxy-2-propanol 36.84
    pyridine 8.98
    3-pentanone 3.55
    furfural 31.18
    n-dodecane 0.09
    diethylene glycol 39.99
    diisopropyl ether 0.28
    tert-amyl alcohol 1.7
    acetylacetone 17.94
    n-hexadecane 0.1
    acetophenone 3.9
    methyl propionate 5.33
    isopentyl acetate 1.04
    trichloroethylene 3.76
    n-nonanol 2.49
    cyclohexanol 2.61
    benzyl alcohol 4.19
    2-ethylhexanol 0.66
    isooctanol 1.56
    dipropyl ether 1.24
    1,2-dichlorobenzene 0.63
    ethyl lactate 6.66
    propylene carbonate 8.31
    n-methylformamide 49.8
    2-pentanol 1.08
    n-pentane 0.03
    1-propoxy-2-propanol 8.8
    1-methoxy-2-propyl acetate 5.16
    2-(2-methoxypropoxy) propanol 13.43
    mesitylene 0.29
    ε-caprolactone 8.62
    p-cymene 0.33
    epichlorohydrin 16.28
    1,1,1-trichloroethane 0.66
    2-aminoethanol 25.41
    morpholine-4-carbaldehyde 76.1
    sulfolane 76.13
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.02
    n-hexyl acetate 3.05
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 19.9
    sec-butyl acetate 0.81
    tert-butyl acetate 2.43
    decalin 0.04
    glycerin 83.86
    diglyme 38.72
    acrylic acid 16.79
    isopropyl myristate 1.44
    n-butyric acid 7.11
    acetyl acetate 4.01
    di(2-ethylhexyl) phthalate 3.0
    ethyl propionate 1.52
    nitromethane 97.54
    1,2-diethoxyethane 4.85
    benzonitrile 2.63
    trioctyl phosphate 2.16
    1-bromopropane 0.36
    gamma-valerolactone 53.03
    n-decanol 1.78
    triethyl phosphate 1.66
    4-methyl-2-pentanol 0.58
    propionitrile 2.15
    vinylene carbonate 8.73
    1,1,2-trichlorotrifluoroethane 45.7
    DMS 4.34
    cumene 0.17
    2-octanol 1.43
    2-hexanone 2.21
    octyl acetate 2.39
    limonene 0.51
    1,2-dimethoxyethane 26.15
    ethyl orthosilicate 1.4
    tributyl phosphate 1.97
    diacetone alcohol 9.94
    N,N-dimethylaniline 1.7
    acrylonitrile 5.47
    aniline 2.73
    1,3-propanediol 25.17
    bromobenzene 0.41
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 3.91
    2-methyl-cyclohexyl acetate 1.78
    tetrabutyl urea 4.49
    diisobutyl methanol 0.52
    2-phenylethanol 2.85
    styrene 0.32
    dioctyl adipate 3.74
    dimethyl sulfate 30.97
    ethyl butyrate 1.39
    methyl lactate 21.56
    butyl lactate 5.19
    diethyl carbonate 1.37
    propanediol butyl ether 16.86
    triethyl orthoformate 2.01
    p-tert-butyltoluene 0.36
    methyl 4-tert-butylbenzoate 7.57
    morpholine 23.02
    tert-butylamine 0.53
    n-dodecanol 1.26
    dimethoxymethane 43.1
    ethylene carbonate 5.99
    cyrene 21.54
    2-ethoxyethyl acetate 5.72
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 1.21
    4-methylpyridine 4.89
    dibutyl ether 1.31
    2,6-dimethyl-4-heptanol 0.52
    DEF 12.52
    dimethyl isosorbide 18.22
    tetrachloroethylene 2.62
    eugenol 9.52
    triacetin 8.74
    span 80 10.9
    1,4-butanediol 10.92
    1,1-dichloroethane 0.68
    2-methyl-1-pentanol 0.91
    methyl formate 38.09
    2-methyl-1-butanol 1.22
    n-decane 0.15
    butyronitrile 1.85
    3,7-dimethyl-1-octanol 1.33
    1-chlorooctane 0.56
    1-chlorotetradecane 0.27
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.06
    cyclopentanol 4.7
    tetrahydropyran 5.0
    tert-amyl methyl ether 1.0
    2,5,8-trioxanonane 30.29
    1-hexene 0.1
    2-isopropoxyethanol 11.4
    2,2,2-trifluoroethanol 27.14
    methyl butyrate 2.4

    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