3-[(4-Amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide

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  • Identifiers

    CAS number
    1093200-92-0

    Molecular formula
    C15H22N4O4S

    SMILES
    CCCNC(=O)C(C)(C)COC1=CC=CC2=C1C(=NS(=O)(=O)N2)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.76%
    Savory 29.52%
    Cooling 28.04%
    Meaty 24.04%
    Roasted 23.48%
    Cooked 21.25%
    Milky 16.52%
    Mint 16.3%
    Popcorn 16.26%
    Bitter 15.68%

     

    Flavor
    Bitter 72.18%
    Odorless 25.05%
    Bland 21.27%
    Cedarleaf 19.43%
    Broom 18.49%
    Taco 18.47%
    Nitrile 18.33%
    Heather 18.29%
    Orange flower 18.19%
    Roasted peanuts 18.17%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.05 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1003°C

    Flash point

    • 248.84 ˚C est.

    Solubility expt.

    • 0.15 mM in citric acid buffer pH 4.0; 0.16 mM in citric acid buffer pH 2.8
    • Slightly soluble (in ethanol)

  • Synonyms

    • 1093200-92-0
    • 3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
    • DTXSID201019799
    • 3-((4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)-2,2-dimethyl-N-propylpropanamide
    • RefChem:53323
    • FEMA Number 4701
    • JECFA Number 2082
    • JECFA No. 2082
    • FEMA No. 4701
    • DTXCID901477691
    • 7BJN24VU6P
    • SCHEMBL6015801
    • SCHEMBL13642746
    • SCHEMBL29407979
    • BLUFUTBSOUBUDN-UHFFFAOYSA-N
    • NS00120436
    • 3-[(4-Amino-2,2-dioxo-1,2-dihydro-2lambda~6~,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
    • Propanamide, 3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propyl-
    • 1093200-92-0

  • Applications

    3-[(4-Amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide (CAS 1093200-92-0) is a specialized organic synthesis intermediate used as a building block for benzothiadiazine-1,1-dioxide derivatives. It can serve as a precursor in dye and pigment chemistry and may be evaluated as a pharmaceutical or agrochemical intermediate for more complex molecules. It also has potential applications in polymer and coating formulations as a reactive intermediate or functionalizing agent to improve material properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.83
    methanol 25.67
    isopropanol 2.74
    water 0.44
    ethyl acetate 2.43
    n-propanol 5.01
    acetone 19.56
    n-butanol 3.43
    acetonitrile 7.58
    DMF 79.7
    toluene 0.74
    isobutanol 2.41
    1,4-dioxane 3.16
    methyl acetate 4.0
    THF 12.9
    2-butanone 10.13
    n-pentanol 2.85
    sec-butanol 2.07
    n-hexane 0.02
    ethylene glycol 6.18
    NMP 95.41
    cyclohexane 0.05
    DMSO 126.4
    n-butyl acetate 2.81
    n-octanol 0.71
    chloroform 19.66
    n-propyl acetate 3.36
    acetic acid 52.69
    dichloromethane 21.37
    cyclohexanone 17.31
    propylene glycol 14.63
    isopropyl acetate 1.72
    DMAc 83.04
    2-ethoxyethanol 17.11
    isopentanol 2.39
    n-heptane 0.03
    ethyl formate 9.72
    1,2-dichloroethane 9.49
    n-hexanol 1.54
    2-methoxyethanol 38.84
    isobutyl acetate 2.05
    tetrachloromethane 0.96
    n-pentyl acetate 2.88
    transcutol 16.93
    n-heptanol 1.34
    ethylbenzene 0.34
    MIBK 3.46
    2-propoxyethanol 15.4
    tert-butanol 1.69
    MTBE 0.4
    2-butoxyethanol 8.76
    propionic acid 11.98
    o-xylene 0.6
    formic acid 61.39
    diethyl ether 0.65
    m-xylene 0.59
    p-xylene 0.76
    chlorobenzene 3.04
    dimethyl carbonate 5.36
    n-octane 0.02
    formamide 60.59
    cyclopentanone 30.1
    2-pentanone 6.33
    anisole 1.55
    cyclopentyl methyl ether 1.6
    gamma-butyrolactone 35.24
    1-methoxy-2-propanol 19.71
    pyridine 11.58
    3-pentanone 3.92
    furfural 47.81
    n-dodecane 0.02
    diethylene glycol 20.49
    diisopropyl ether 0.15
    tert-amyl alcohol 1.47
    acetylacetone 11.81
    n-hexadecane 0.02
    acetophenone 6.03
    methyl propionate 4.66
    isopentyl acetate 2.65
    trichloroethylene 34.3
    n-nonanol 0.79
    cyclohexanol 1.65
    benzyl alcohol 6.65
    2-ethylhexanol 0.8
    isooctanol 0.99
    dipropyl ether 0.6
    1,2-dichlorobenzene 3.46
    ethyl lactate 7.46
    propylene carbonate 16.91
    n-methylformamide 39.47
    2-pentanol 0.95
    n-pentane 0.03
    1-propoxy-2-propanol 7.54
    1-methoxy-2-propyl acetate 6.02
    2-(2-methoxypropoxy) propanol 9.17
    mesitylene 0.35
    ε-caprolactone 13.45
    p-cymene 0.47
    epichlorohydrin 29.78
    1,1,1-trichloroethane 4.46
    2-aminoethanol 12.99
    morpholine-4-carbaldehyde 40.63
    sulfolane 72.91
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.98
    n-hexyl acetate 2.36
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.63
    sec-butyl acetate 1.43
    tert-butyl acetate 1.98
    decalin 0.03
    glycerin 30.52
    diglyme 16.05
    acrylic acid 20.93
    isopropyl myristate 0.79
    n-butyric acid 13.19
    acetyl acetate 3.51
    di(2-ethylhexyl) phthalate 3.75
    ethyl propionate 2.18
    nitromethane 61.54
    1,2-diethoxyethane 2.1
    benzonitrile 7.36
    trioctyl phosphate 1.97
    1-bromopropane 1.57
    gamma-valerolactone 57.58
    n-decanol 0.57
    triethyl phosphate 2.26
    4-methyl-2-pentanol 0.65
    propionitrile 4.47
    vinylene carbonate 18.99
    1,1,2-trichlorotrifluoroethane 58.1
    DMS 3.89
    cumene 0.31
    2-octanol 0.6
    2-hexanone 4.38
    octyl acetate 1.41
    limonene 0.51
    1,2-dimethoxyethane 12.44
    ethyl orthosilicate 1.69
    tributyl phosphate 2.27
    diacetone alcohol 9.29
    N,N-dimethylaniline 1.43
    acrylonitrile 11.11
    aniline 3.16
    1,3-propanediol 14.81
    bromobenzene 2.22
    dibromomethane 8.18
    1,1,2,2-tetrachloroethane 21.04
    2-methyl-cyclohexyl acetate 2.91
    tetrabutyl urea 3.93
    diisobutyl methanol 0.44
    2-phenylethanol 5.53
    styrene 0.5
    dioctyl adipate 2.53
    dimethyl sulfate 17.99
    ethyl butyrate 2.44
    methyl lactate 16.05
    butyl lactate 6.73
    diethyl carbonate 2.07
    propanediol butyl ether 9.55
    triethyl orthoformate 1.99
    p-tert-butyltoluene 0.38
    methyl 4-tert-butylbenzoate 6.7
    morpholine 6.53
    tert-butylamine 0.42
    n-dodecanol 0.39
    dimethoxymethane 15.16
    ethylene carbonate 11.24
    cyrene 25.71
    2-ethoxyethyl acetate 5.76
    2-ethylhexyl acetate 1.84
    1,2,4-trichlorobenzene 5.69
    4-methylpyridine 7.56
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.44
    DEF 8.8
    dimethyl isosorbide 16.96
    tetrachloroethylene 10.69
    eugenol 9.93
    triacetin 6.58
    span 80 7.4
    1,4-butanediol 7.42
    1,1-dichloroethane 5.39
    2-methyl-1-pentanol 2.14
    methyl formate 29.07
    2-methyl-1-butanol 2.28
    n-decane 0.03
    butyronitrile 4.53
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.22
    1-chlorotetradecane 0.1
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 3.64
    tetrahydropyran 1.6
    tert-amyl methyl ether 0.51
    2,5,8-trioxanonane 13.07
    1-hexene 0.16
    2-isopropoxyethanol 7.38
    2,2,2-trifluoroethanol 21.27
    methyl butyrate 4.35

    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