1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene

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  • Identifiers

    CAS number
    17354-63-1

    Molecular formula
    C10H11NO3

    SMILES
    CC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 74.75%
    Floral 56.17%
    Vanilla 48.52%
    Powdery 44.22%
    Fruity 43.07%
    Spicy 42.93%
    Creamy 37.65%
    Balsamic 37.05%
    Caramellic 36.28%
    Honey 33.15%

     

    Flavor
    Bitter 43.92%
    Odorless 28.81%
    Broom 20.08%
    Heather 20.0%
    Orange flower 19.97%
    Nitrile 19.93%
    Genet 19.91%
    Ethyl benzoate 19.59%
    Lovage 19.22%
    Basil 19.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.38 (weak base)

    Molecular weight
    193.2 g/mol

    Flash point

    • 135.32 ˚C est.

  • Synonyms

    • 17354-63-1
    • 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene
    • RefChem:231317
    • 1-methoxy-4-(2-nitroprop-1-en-1-yl)benzene
    • 1-(4-METHOXYPHENYL)-2-NITROPROPENE
    • 37629-51-9
    • 1-methoxy-4-(2-nitroprop-1-enyl)benzene
    • 1-methoxy-4-[2-nitroprop-1-enyl]benzene
    • EINECS 241-381-5
    • Benzene, 1-methoxy-4-(2-nitro-1-propen-1-yl)-
    • Methyl 4-[(1E)-2-nitro-1-propenyl]phenyl ether
    • AI3-63172
    • SCHEMBL9656291
    • DTXSID201245093
    • DTXSID901267666
    • NSC 65601
    • AKOS017269196
    • AB03777
    • NCI60_019384
    • NS00051737
    • 1-Methoxy-4-[(1Z)-2-nitro-1-propen-1-yl]benzene
    • 1-METHOXY-4-[(1Z)-2-NITROPROP-1-EN-1-YL]BENZENE
    • 207511-16-8
    • 17354-63-1

  • Applications

    1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene (CAS 17354-63-1) is an aryl ether bearing a nitroalkenyl substituent para to the methoxy group, commonly used as an organic synthesis intermediate in industrial chemical production. Real-world applications include serving as a building block for the manufacture of aromatic dyes and pigments, as a precursor in fragrance chemistry, as a reactive intermediate for polymer and plastic modification, and as a component in coatings and inks; in research settings it may also be considered as a starting material for pharmaceutical or agrochemical syntheses, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.62
    methanol 48.35
    isopropanol 25.27
    water 0.17
    ethyl acetate 323.5
    n-propanol 24.82
    acetone 303.02
    n-butanol 23.72
    acetonitrile 262.68
    DMF 423.55
    toluene 150.23
    isobutanol 18.17
    1,4-dioxane 341.94
    methyl acetate 399.7
    THF 331.42
    2-butanone 263.26
    n-pentanol 28.35
    sec-butanol 26.52
    n-hexane 1.96
    ethylene glycol 21.24
    NMP 336.09
    cyclohexane 1.89
    DMSO 357.61
    n-butyl acetate 140.08
    n-octanol 18.34
    chloroform 399.59
    n-propyl acetate 142.66
    acetic acid 90.84
    dichloromethane 628.53
    cyclohexanone 211.97
    propylene glycol 19.06
    isopropyl acetate 134.42
    DMAc 499.28
    2-ethoxyethanol 141.31
    isopentanol 31.09
    n-heptane 2.6
    ethyl formate 136.77
    1,2-dichloroethane 381.32
    n-hexanol 32.65
    2-methoxyethanol 174.07
    isobutyl acetate 71.35
    tetrachloromethane 27.54
    n-pentyl acetate 60.23
    transcutol 606.06
    n-heptanol 16.52
    ethylbenzene 70.93
    MIBK 94.28
    2-propoxyethanol 120.29
    tert-butanol 73.95
    MTBE 103.63
    2-butoxyethanol 59.36
    propionic acid 65.14
    o-xylene 93.65
    formic acid 58.46
    diethyl ether 95.45
    m-xylene 87.24
    p-xylene 90.51
    chlorobenzene 161.3
    dimethyl carbonate 181.54
    n-octane 1.92
    formamide 187.51
    cyclopentanone 337.74
    2-pentanone 154.91
    anisole 224.76
    cyclopentyl methyl ether 112.84
    gamma-butyrolactone 493.24
    1-methoxy-2-propanol 116.58
    pyridine 272.68
    3-pentanone 155.5
    furfural 453.31
    n-dodecane 2.54
    diethylene glycol 125.07
    diisopropyl ether 30.46
    tert-amyl alcohol 58.47
    acetylacetone 339.21
    n-hexadecane 3.04
    acetophenone 201.86
    methyl propionate 257.61
    isopentyl acetate 113.82
    trichloroethylene 784.65
    n-nonanol 19.84
    cyclohexanol 32.24
    benzyl alcohol 112.16
    2-ethylhexanol 30.01
    isooctanol 17.13
    dipropyl ether 48.19
    1,2-dichlorobenzene 170.65
    ethyl lactate 67.04
    propylene carbonate 211.48
    n-methylformamide 199.0
    2-pentanol 21.96
    n-pentane 1.19
    1-propoxy-2-propanol 83.11
    1-methoxy-2-propyl acetate 187.36
    2-(2-methoxypropoxy) propanol 128.03
    mesitylene 48.03
    ε-caprolactone 204.99
    p-cymene 38.05
    epichlorohydrin 597.66
    1,1,1-trichloroethane 275.69
    2-aminoethanol 29.26
    morpholine-4-carbaldehyde 474.76
    sulfolane 398.1
    2,2,4-trimethylpentane 3.18
    2-methyltetrahydrofuran 187.64
    n-hexyl acetate 83.14
    isooctane 2.63
    2-(2-butoxyethoxy)ethanol 139.14
    sec-butyl acetate 97.93
    tert-butyl acetate 165.66
    decalin 6.97
    glycerin 46.56
    diglyme 312.79
    acrylic acid 77.03
    isopropyl myristate 39.95
    n-butyric acid 78.19
    acetyl acetate 207.59
    di(2-ethylhexyl) phthalate 43.84
    ethyl propionate 144.82
    nitromethane 550.86
    1,2-diethoxyethane 203.3
    benzonitrile 169.23
    trioctyl phosphate 24.7
    1-bromopropane 91.18
    gamma-valerolactone 448.02
    n-decanol 17.37
    triethyl phosphate 72.36
    4-methyl-2-pentanol 20.64
    propionitrile 119.04
    vinylene carbonate 218.59
    1,1,2-trichlorotrifluoroethane 235.79
    DMS 197.07
    cumene 44.16
    2-octanol 14.43
    2-hexanone 116.24
    octyl acetate 47.77
    limonene 43.75
    1,2-dimethoxyethane 326.85
    ethyl orthosilicate 63.53
    tributyl phosphate 42.97
    diacetone alcohol 157.04
    N,N-dimethylaniline 123.17
    acrylonitrile 224.92
    aniline 118.47
    1,3-propanediol 46.72
    bromobenzene 183.44
    dibromomethane 258.28
    1,1,2,2-tetrachloroethane 418.46
    2-methyl-cyclohexyl acetate 85.62
    tetrabutyl urea 56.42
    diisobutyl methanol 26.58
    2-phenylethanol 93.46
    styrene 96.89
    dioctyl adipate 72.05
    dimethyl sulfate 285.28
    ethyl butyrate 114.08
    methyl lactate 94.52
    butyl lactate 49.52
    diethyl carbonate 100.92
    propanediol butyl ether 56.9
    triethyl orthoformate 78.78
    p-tert-butyltoluene 37.91
    methyl 4-tert-butylbenzoate 115.94
    morpholine 264.3
    tert-butylamine 32.0
    n-dodecanol 15.46
    dimethoxymethane 289.06
    ethylene carbonate 161.74
    cyrene 125.16
    2-ethoxyethyl acetate 159.33
    2-ethylhexyl acetate 92.52
    1,2,4-trichlorobenzene 206.41
    4-methylpyridine 292.72
    dibutyl ether 48.82
    2,6-dimethyl-4-heptanol 26.58
    DEF 215.46
    dimethyl isosorbide 252.77
    tetrachloroethylene 222.38
    eugenol 113.04
    triacetin 146.88
    span 80 66.24
    1,4-butanediol 24.14
    1,1-dichloroethane 259.0
    2-methyl-1-pentanol 38.97
    methyl formate 219.7
    2-methyl-1-butanol 25.7
    n-decane 3.47
    butyronitrile 81.14
    3,7-dimethyl-1-octanol 30.4
    1-chlorooctane 19.2
    1-chlorotetradecane 11.35
    n-nonane 2.84
    undecane 2.94
    tert-butylcyclohexane 7.18
    cyclooctane 1.35
    cyclopentanol 32.58
    tetrahydropyran 129.68
    tert-amyl methyl ether 88.32
    2,5,8-trioxanonane 242.48
    1-hexene 15.21
    2-isopropoxyethanol 100.25
    2,2,2-trifluoroethanol 68.99
    methyl butyrate 171.74

    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