5-Nitro-2-propoxyaniline

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  • Identifiers

    CAS number
    553-79-7

    Molecular formula
    C9H12N2O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.46%
    Vanilla 48.91%
    Floral 35.74%
    Creamy 33.84%
    Powdery 33.52%
    Fruity 32.67%
    Odorless 31.3%
    Grape 30.67%
    Milky 28.8%
    Balsamic 24.05%

     

    Flavor
    Bitter 52.95%
    Odorless 35.35%
    Sweet 32.84%
    Fruity 32.06%
    Mild 30.0%
    Powdery 26.26%
    Grape 22.68%
    Orange flower 21.49%
    Orange blossom 21.08%
    Petitgrain 20.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.65 (neutral)

    Molecular weight
    196.2 g/mol

    Melting point expt.

    • 49 °C

    Flash point

    • 164.1 ˚C est.

    Solubility expt.

    • 0.136 mg/mL at 20 °C

  • Synonyms

    • 5-Nitro-2-propoxyaniline
    • 553-79-7
    • Ultrasuss
    • 5-Nitro-2-propoxybenzenamine
    • 1-Propoxy-2-amino-4-nitrobenzene
    • ANILINE, 5-NITRO-2-PROPOXY-
    • 1-n-Propoxy-2-amino-4-nitrobenzene
    • HDS42MR6BM
    • NSC-108776
    • DTXSID50203827
    • RefChem:103261
    • DTXCID80126318
    • 209-049-4
    • Ultrasuess
    • Ultrasweet
    • Aros X
    • P 4000 (Sweetener)
    • Sweetening agent P 4000
    • 2-Amino-4-nitro-1-propoxybenzene
    • Benzenamine, 5-nitro-2-propoxy-
    • 5-Nitro-2-n-propoxyaniline
    • 1-Propoxy-2-amino-4-nitrobenzol
    • Aros-X
    • P 4000
    • P-4000
    • NSC 108776
    • Sweetening Agent P-4000
    • 1-Oxy-2-amino-4-nitrobenzol propyl aether
    • EINECS 209-049-4
    • UNII-HDS42MR6BM
    • BRN 2098543
    • 1-Propoxy-2-amino-4-nitrobenzol [German]
    • 1-Oxy-2-amino-4-nitrobenzol propyl aether [German]
    • 5-Nitro-2-propoxy-Aniline
    • 5-Nitro-2-propoxyphenylamine
    • SCHEMBL397794
    • 5-Nitro-2-propoxy-Benzenamine
    • 5-Nitro-2-propoxy-phenylamine
    • CHEMBL322314
    • SCHEMBL29469600
    • CHEBI:193992
    • 2-Amino-4-nitro-1-n-propoxybenzene
    • NSC108776
    • 5-NITRO-2-PROPOXYANILINE [MI]
    • Benzenamine, 5-nitro-2-propoxy- (9CI)
    • NS00022366
    • P4000
    • H61484
    • AE-562/12222109
    • Q754374
    • 553-79-7

  • Applications

    5-Nitro-2-propoxyaniline (CAS 553-79-7) is primarily used as an intermediate in the production of azo dyes and pigments, where its nitroaniline scaffold can be diazotized and coupled to form colorants for textiles, paper, and coatings; it also serves as a precursor for polymer colorants used in plastics, paints, and inks; it is employed in industrial manufacturing as a synthetic building block for specialty color materials and dye systems; in research and development, it is evaluated as a starting point for functional materials based on azo dye chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.5
    methanol 141.94
    isopropanol 64.16
    water 0.33
    ethyl acetate 324.98
    n-propanol 66.08
    acetone 723.62
    n-butanol 53.5
    acetonitrile 387.73
    DMF 901.53
    toluene 72.94
    isobutanol 41.8
    1,4-dioxane 279.21
    methyl acetate 425.62
    THF 431.29
    2-butanone 450.99
    n-pentanol 54.63
    sec-butanol 58.61
    n-hexane 1.06
    ethylene glycol 38.17
    NMP 598.37
    cyclohexane 1.64
    DMSO 1448.48
    n-butyl acetate 200.69
    n-octanol 22.21
    chloroform 283.88
    n-propyl acetate 192.82
    acetic acid 289.6
    dichloromethane 508.28
    cyclohexanone 367.05
    propylene glycol 34.06
    isopropyl acetate 131.91
    DMAc 750.5
    2-ethoxyethanol 193.3
    isopentanol 55.34
    n-heptane 1.05
    ethyl formate 213.12
    1,2-dichloroethane 378.26
    n-hexanol 48.85
    2-methoxyethanol 247.77
    isobutyl acetate 79.77
    tetrachloromethane 19.45
    n-pentyl acetate 78.7
    transcutol 590.57
    n-heptanol 22.08
    ethylbenzene 38.68
    MIBK 114.85
    2-propoxyethanol 139.44
    tert-butanol 105.93
    MTBE 117.28
    2-butoxyethanol 75.2
    propionic acid 136.83
    o-xylene 61.05
    formic acid 156.03
    diethyl ether 89.37
    m-xylene 51.77
    p-xylene 56.86
    chlorobenzene 137.12
    dimethyl carbonate 155.67
    n-octane 0.82
    formamide 393.24
    cyclopentanone 603.3
    2-pentanone 259.12
    anisole 149.84
    cyclopentyl methyl ether 117.08
    gamma-butyrolactone 701.04
    1-methoxy-2-propanol 162.88
    pyridine 318.29
    3-pentanone 207.97
    furfural 590.28
    n-dodecane 1.2
    diethylene glycol 148.84
    diisopropyl ether 19.93
    tert-amyl alcohol 91.7
    acetylacetone 450.26
    n-hexadecane 1.44
    acetophenone 194.92
    methyl propionate 280.72
    isopentyl acetate 140.86
    trichloroethylene 742.83
    n-nonanol 21.98
    cyclohexanol 48.22
    benzyl alcohol 113.74
    2-ethylhexanol 34.12
    isooctanol 19.59
    dipropyl ether 32.46
    1,2-dichlorobenzene 130.36
    ethyl lactate 83.71
    propylene carbonate 300.32
    n-methylformamide 407.89
    2-pentanol 37.96
    n-pentane 0.9
    1-propoxy-2-propanol 91.64
    1-methoxy-2-propyl acetate 178.12
    2-(2-methoxypropoxy) propanol 110.22
    mesitylene 25.94
    ε-caprolactone 280.43
    p-cymene 24.68
    epichlorohydrin 672.05
    1,1,1-trichloroethane 190.63
    2-aminoethanol 58.27
    morpholine-4-carbaldehyde 484.07
    sulfolane 771.43
    2,2,4-trimethylpentane 1.94
    2-methyltetrahydrofuran 243.82
    n-hexyl acetate 99.15
    isooctane 1.38
    2-(2-butoxyethoxy)ethanol 131.5
    sec-butyl acetate 101.33
    tert-butyl acetate 146.68
    decalin 3.19
    glycerin 74.56
    diglyme 308.89
    acrylic acid 169.91
    isopropyl myristate 33.87
    n-butyric acid 155.14
    acetyl acetate 229.52
    di(2-ethylhexyl) phthalate 44.67
    ethyl propionate 153.09
    nitromethane 1133.34
    1,2-diethoxyethane 152.98
    benzonitrile 186.03
    trioctyl phosphate 28.92
    1-bromopropane 82.01
    gamma-valerolactone 617.5
    n-decanol 17.6
    triethyl phosphate 61.56
    4-methyl-2-pentanol 26.33
    propionitrile 144.65
    vinylene carbonate 280.43
    1,1,2-trichlorotrifluoroethane 319.66
    DMS 169.73
    cumene 25.79
    2-octanol 16.24
    2-hexanone 163.22
    octyl acetate 49.42
    limonene 32.5
    1,2-dimethoxyethane 341.4
    ethyl orthosilicate 48.32
    tributyl phosphate 42.32
    diacetone alcohol 170.16
    N,N-dimethylaniline 83.55
    acrylonitrile 280.37
    aniline 113.28
    1,3-propanediol 86.79
    bromobenzene 135.06
    dibromomethane 218.72
    1,1,2,2-tetrachloroethane 439.74
    2-methyl-cyclohexyl acetate 81.32
    tetrabutyl urea 56.64
    diisobutyl methanol 20.63
    2-phenylethanol 92.12
    styrene 58.46
    dioctyl adipate 69.45
    dimethyl sulfate 330.43
    ethyl butyrate 118.25
    methyl lactate 119.82
    butyl lactate 68.26
    diethyl carbonate 94.83
    propanediol butyl ether 76.6
    triethyl orthoformate 65.86
    p-tert-butyltoluene 22.61
    methyl 4-tert-butylbenzoate 97.53
    morpholine 270.78
    tert-butylamine 37.49
    n-dodecanol 14.17
    dimethoxymethane 321.06
    ethylene carbonate 200.21
    cyrene 131.74
    2-ethoxyethyl acetate 171.12
    2-ethylhexyl acetate 100.92
    1,2,4-trichlorobenzene 170.33
    4-methylpyridine 326.98
    dibutyl ether 35.29
    2,6-dimethyl-4-heptanol 20.63
    DEF 301.45
    dimethyl isosorbide 194.9
    tetrachloroethylene 233.66
    eugenol 99.68
    triacetin 150.36
    span 80 69.85
    1,4-butanediol 46.57
    1,1-dichloroethane 241.33
    2-methyl-1-pentanol 59.1
    methyl formate 402.47
    2-methyl-1-butanol 49.21
    n-decane 1.6
    butyronitrile 131.24
    3,7-dimethyl-1-octanol 29.53
    1-chlorooctane 14.58
    1-chlorotetradecane 6.77
    n-nonane 1.23
    undecane 1.37
    tert-butylcyclohexane 3.05
    cyclooctane 0.74
    cyclopentanol 61.45
    tetrahydropyran 144.09
    tert-amyl methyl ether 86.57
    2,5,8-trioxanonane 197.94
    1-hexene 10.84
    2-isopropoxyethanol 121.17
    2,2,2-trifluoroethanol 141.01
    methyl butyrate 212.17

    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