5'-Nitro-2'-propoxyacetanilide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    553-20-8

    Molecular formula
    C11H14N2O4

    SMILES
    CCCOC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 43.11%
    Fruity 38.33%
    Odorless 35.64%
    Grape 34.16%
    Milky 30.64%
    Vanilla 29.33%
    Creamy 28.28%
    Floral 26.25%
    Savory 25.13%
    Caramellic 24.18%

     

    Flavor
    Odorless 44.56%
    Fruity 36.28%
    Bitter 32.93%
    Mild 29.51%
    Very mild 24.63%
    Bland 22.83%
    Grape 22.18%
    Orange flower 20.5%
    Powdery 20.28%
    Orange blossom 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.95 (weak base)

    Molecular weight
    238.24 g/mol

    Melting point expt.

    • 202 - 203 °C

    Flash point

    • 190.16 ˚C est.

  • Synonyms

    • Falimint
    • N-(5-Nitro-2-propoxyphenyl)acetamide
    • 553-20-8
    • 5'-Nitro-2'-propoxyacetanilide
    • Acetylaminonitropropoxybenzene
    • 1-Propoxy-2-acetamino-4-nitrobenzene
    • 1-Propoxy-2-acetamino-2-nitrobenzol
    • I26A23734J
    • DTXSID20203819
    • RefChem:100834
    • DTXCID00126310
    • 611-256-3
    • pronilide
    • Acetamide, N-(3-nitro-6-propoxyphenyl)
    • Acetamide, N-(5-nitro-2-propoxyphenyl)-
    • UNII-I26A23734J
    • Falimint (TN)
    • PRONILIDE [WHO-DD]
    • Oprea1_169624
    • SCHEMBL222384
    • 5'-Nitro-2'-propoxyacetanilid
    • orb1689689
    • CHEBI:134968
    • OPTZOXDYEFIPJZ-UHFFFAOYSA-N
    • AAA55320
    • 2-PROPOXY-5-NITROACETANILIDE
    • N-(5-Nitro-2-propxyphenyl)acetamide
    • 5//'-Nitro-2//'-propoxyacetanilide
    • AKOS030229100
    • 5'-Nitro-2'-propoxyacetanilide, 8CI
    • HY-W176576
    • N-(5-Nitro-2-propoxyphenyl)-Acetamide
    • N-(5-Nitro-2-propoxyphenyl)acetamide #
    • DA-63364
    • WS-03234
    • ACETANILIDE, 5'-NITRO-2'-PROPOXY-
    • CS-0237691
    • N-(5-Nitro-2-propoxyphenyl)acetamide, 9CI
    • NS00009410
    • 5'-NITRO-2'-PROPOXYACETANILIDE [MI]
    • EN300-18649
    • D07553
    • H63884
    • AE-848/32817060
    • Q4073296
    • 553-20-8

  • Applications

    5'-Nitro-2'-propoxyacetanilide, CAS 553-20-8, is commonly used as an intermediate in industrial chemical synthesis, notably as a precursor for colorants (azo dyes and pigments) in the dyes and coatings/inks sectors; it also serves as an intermediate in pharmaceutical development and in agrochemical synthesis; it may be employed as a building block in specialty polymers and related polymer-formulation applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.06
    methanol 65.03
    isopropanol 26.06
    water 0.42
    ethyl acetate 142.33
    n-propanol 27.58
    acetone 395.89
    n-butanol 27.69
    acetonitrile 183.73
    DMF 842.3
    toluene 29.35
    isobutanol 22.64
    1,4-dioxane 128.1
    methyl acetate 226.44
    THF 223.96
    2-butanone 242.87
    n-pentanol 27.57
    sec-butanol 28.62
    n-hexane 0.74
    ethylene glycol 19.13
    NMP 645.42
    cyclohexane 0.85
    DMSO 908.55
    n-butyl acetate 95.23
    n-octanol 9.03
    chloroform 147.48
    n-propyl acetate 89.4
    acetic acid 198.94
    dichloromethane 243.81
    cyclohexanone 218.49
    propylene glycol 17.92
    isopropyl acetate 68.71
    DMAc 944.87
    2-ethoxyethanol 99.17
    isopentanol 32.27
    n-heptane 0.42
    ethyl formate 105.44
    1,2-dichloroethane 187.86
    n-hexanol 20.59
    2-methoxyethanol 150.18
    isobutyl acetate 43.69
    tetrachloromethane 9.14
    n-pentyl acetate 33.71
    transcutol 288.82
    n-heptanol 8.97
    ethylbenzene 24.18
    MIBK 64.35
    2-propoxyethanol 79.9
    tert-butanol 46.49
    MTBE 56.3
    2-butoxyethanol 37.36
    propionic acid 84.27
    o-xylene 30.01
    formic acid 109.7
    diethyl ether 41.64
    m-xylene 22.46
    p-xylene 36.8
    chlorobenzene 72.16
    dimethyl carbonate 111.95
    n-octane 0.29
    formamide 234.78
    cyclopentanone 340.62
    2-pentanone 126.96
    anisole 101.52
    cyclopentyl methyl ether 62.33
    gamma-butyrolactone 404.24
    1-methoxy-2-propanol 88.94
    pyridine 180.51
    3-pentanone 118.31
    furfural 367.99
    n-dodecane 0.44
    diethylene glycol 88.08
    diisopropyl ether 9.23
    tert-amyl alcohol 46.58
    acetylacetone 247.77
    n-hexadecane 0.53
    acetophenone 146.16
    methyl propionate 149.32
    isopentyl acetate 73.93
    trichloroethylene 371.72
    n-nonanol 9.84
    cyclohexanol 29.65
    benzyl alcohol 83.43
    2-ethylhexanol 17.7
    isooctanol 8.77
    dipropyl ether 17.39
    1,2-dichlorobenzene 77.22
    ethyl lactate 55.13
    propylene carbonate 194.05
    n-methylformamide 240.07
    2-pentanol 17.36
    n-pentane 0.46
    1-propoxy-2-propanol 55.4
    1-methoxy-2-propyl acetate 100.77
    2-(2-methoxypropoxy) propanol 82.42
    mesitylene 11.92
    ε-caprolactone 180.28
    p-cymene 14.48
    epichlorohydrin 353.39
    1,1,1-trichloroethane 93.89
    2-aminoethanol 28.32
    morpholine-4-carbaldehyde 392.73
    sulfolane 496.12
    2,2,4-trimethylpentane 1.13
    2-methyltetrahydrofuran 138.48
    n-hexyl acetate 47.9
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 78.28
    sec-butyl acetate 56.57
    tert-butyl acetate 77.61
    decalin 2.01
    glycerin 48.26
    diglyme 171.55
    acrylic acid 112.73
    isopropyl myristate 18.73
    n-butyric acid 84.1
    acetyl acetate 121.48
    di(2-ethylhexyl) phthalate 33.94
    ethyl propionate 85.98
    nitromethane 613.16
    1,2-diethoxyethane 73.2
    benzonitrile 108.21
    trioctyl phosphate 18.73
    1-bromopropane 45.78
    gamma-valerolactone 394.17
    n-decanol 7.68
    triethyl phosphate 47.7
    4-methyl-2-pentanol 13.73
    propionitrile 74.3
    vinylene carbonate 184.46
    1,1,2-trichlorotrifluoroethane 223.95
    DMS 112.49
    cumene 16.53
    2-octanol 6.22
    2-hexanone 89.11
    octyl acetate 26.62
    limonene 18.8
    1,2-dimethoxyethane 202.06
    ethyl orthosilicate 36.69
    tributyl phosphate 31.12
    diacetone alcohol 100.98
    N,N-dimethylaniline 69.37
    acrylonitrile 151.53
    aniline 68.4
    1,3-propanediol 45.13
    bromobenzene 64.58
    dibromomethane 113.15
    1,1,2,2-tetrachloroethane 227.19
    2-methyl-cyclohexyl acetate 56.63
    tetrabutyl urea 44.23
    diisobutyl methanol 11.03
    2-phenylethanol 56.97
    styrene 35.27
    dioctyl adipate 46.62
    dimethyl sulfate 261.1
    ethyl butyrate 69.92
    methyl lactate 87.06
    butyl lactate 39.49
    diethyl carbonate 64.09
    propanediol butyl ether 43.65
    triethyl orthoformate 44.54
    p-tert-butyltoluene 12.73
    methyl 4-tert-butylbenzoate 70.16
    morpholine 150.01
    tert-butylamine 18.36
    n-dodecanol 6.05
    dimethoxymethane 199.98
    ethylene carbonate 131.3
    cyrene 114.59
    2-ethoxyethyl acetate 81.84
    2-ethylhexyl acetate 57.45
    1,2,4-trichlorobenzene 108.08
    4-methylpyridine 211.67
    dibutyl ether 16.75
    2,6-dimethyl-4-heptanol 11.03
    DEF 209.15
    dimethyl isosorbide 138.45
    tetrachloroethylene 108.04
    eugenol 69.63
    triacetin 96.12
    span 80 47.68
    1,4-butanediol 25.0
    1,1-dichloroethane 114.0
    2-methyl-1-pentanol 36.26
    methyl formate 219.14
    2-methyl-1-butanol 31.5
    n-decane 0.62
    butyronitrile 64.9
    3,7-dimethyl-1-octanol 15.24
    1-chlorooctane 5.69
    1-chlorotetradecane 2.78
    n-nonane 0.48
    undecane 0.52
    tert-butylcyclohexane 1.78
    cyclooctane 0.29
    cyclopentanol 37.05
    tetrahydropyran 71.11
    tert-amyl methyl ether 50.56
    2,5,8-trioxanonane 122.98
    1-hexene 7.29
    2-isopropoxyethanol 65.0
    2,2,2-trifluoroethanol 101.81
    methyl butyrate 123.23

    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