2-Ethylnitrobenzene

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  • Identifiers

    CAS number
    30179-51-2

    Molecular formula
    C8H9NO2

    SMILES
    CCC1=CC=CC=C1[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 53.78%
    Floral 46.51%
    Phenolic 39.09%
    Animal 33.99%
    Powdery 33.5%
    Herbal 33.34%
    Balsamic 33.14%
    Spicy 32.46%
    Honey 31.6%
    Hay 28.5%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.17 (weak base)

    Molecular weight
    151.16 g/mol

    Flash point est.
    105.24 ˚C

  • Synonyms

    • 2-Ethylnitrobenzene
    • 1-Ethyl-2-nitrobenzene
    • 612-22-6
    • o-Ethylnitrobenzene
    • Ethylnitrobenzene
    • Benzene, 1-ethyl-2-nitro-
    • o-Nitroethylbenzene
    • 2-Ethyl-1-nitrobenzene
    • 30179-51-2
    • DZR8C3N7UE
    • NSC-5095
    • CCRIS 3099
    • NSC5095
    • NSC 5095
    • EINECS 210-299-1
    • EINECS 250-083-4
    • o-ethyl nitrobenzene
    • UNII-DZR8C3N7UE
    • SCHEMBL124981
    • SCHEMBL3121140
    • 1-Ethyl-2-nitrobenzene, 96%
    • DTXSID4073209
    • SCHEMBL14417279
    • MFCD00024294
    • AKOS015888596
    • AS-17507
    • E0153
    • NS00034608
    • EN300-174278
    • F87374
    • 1-Ethyl-2-nitrobenzene, purum, >=98.0% (GC)
    • F0001-2459
    • InChI=1/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 196.82
    methanol 219.79
    isopropanol 134.18
    water 1.39
    ethyl acetate 837.62
    n-propanol 161.65
    acetone 1218.23
    n-butanol 165.0
    acetonitrile 906.35
    DMF 1698.81
    toluene 412.23
    isobutanol 113.65
    1,4-dioxane 1339.99
    methyl acetate 959.79
    THF 1252.34
    2-butanone 998.47
    n-pentanol 127.39
    sec-butanol 139.02
    n-hexane 47.48
    ethylene glycol 87.87
    NMP 1331.29
    cyclohexane 82.66
    DMSO 1321.67
    n-butyl acetate 446.16
    n-octanol 146.88
    chloroform 1445.58
    n-propyl acetate 417.41
    acetic acid 318.46
    dichloromethane 1982.3
    cyclohexanone 1323.19
    propylene glycol 63.98
    isopropyl acetate 376.26
    DMAc 898.13
    2-ethoxyethanol 293.62
    isopentanol 149.49
    n-heptane 26.11
    ethyl formate 483.42
    1,2-dichloroethane 1895.86
    n-hexanol 179.14
    2-methoxyethanol 509.01
    isobutyl acetate 200.76
    tetrachloromethane 182.01
    n-pentyl acetate 299.38
    transcutol 1192.96
    n-heptanol 114.17
    ethylbenzene 229.8
    MIBK 324.38
    2-propoxyethanol 413.94
    tert-butanol 168.46
    MTBE 302.29
    2-butoxyethanol 238.04
    propionic acid 284.29
    o-xylene 236.01
    formic acid 129.54
    diethyl ether 474.14
    m-xylene 261.57
    p-xylene 273.57
    chlorobenzene 859.64
    dimethyl carbonate 440.4
    n-octane 20.81
    formamide 358.82
    cyclopentanone 1617.37
    2-pentanone 679.1
    anisole 516.95
    cyclopentyl methyl ether 482.21
    gamma-butyrolactone 1690.69
    1-methoxy-2-propanol 356.94
    pyridine 1219.17
    3-pentanone 667.11
    furfural 1467.02
    n-dodecane 21.18
    diethylene glycol 354.98
    diisopropyl ether 126.65
    tert-amyl alcohol 160.07
    acetylacetone 995.66
    n-hexadecane 25.93
    acetophenone 465.6
    methyl propionate 728.91
    isopentyl acetate 342.77
    trichloroethylene 3353.84
    n-nonanol 137.36
    cyclohexanol 214.84
    benzyl alcohol 275.89
    2-ethylhexanol 124.37
    isooctanol 95.37
    dipropyl ether 179.57
    1,2-dichlorobenzene 787.81
    ethyl lactate 166.14
    propylene carbonate 688.75
    n-methylformamide 708.87
    2-pentanol 125.89
    n-pentane 35.33
    1-propoxy-2-propanol 265.57
    1-methoxy-2-propyl acetate 436.81
    2-(2-methoxypropoxy) propanol 280.41
    mesitylene 173.87
    ε-caprolactone 871.47
    p-cymene 100.02
    epichlorohydrin 2087.8
    1,1,1-trichloroethane 1205.73
    2-aminoethanol 114.12
    morpholine-4-carbaldehyde 1248.76
    sulfolane 1788.19
    2,2,4-trimethylpentane 21.05
    2-methyltetrahydrofuran 745.62
    n-hexyl acetate 470.45
    isooctane 23.27
    2-(2-butoxyethoxy)ethanol 406.43
    sec-butyl acetate 239.32
    tert-butyl acetate 385.4
    decalin 51.59
    glycerin 131.69
    diglyme 842.05
    acrylic acid 335.51
    isopropyl myristate 166.96
    n-butyric acid 333.52
    acetyl acetate 513.52
    di(2-ethylhexyl) phthalate 136.91
    ethyl propionate 417.15
    nitromethane 1651.3
    1,2-diethoxyethane 462.21
    benzonitrile 614.2
    trioctyl phosphate 110.06
    1-bromopropane 604.94
    gamma-valerolactone 1599.26
    n-decanol 108.91
    triethyl phosphate 153.56
    4-methyl-2-pentanol 90.63
    propionitrile 517.05
    vinylene carbonate 771.93
    1,1,2-trichlorotrifluoroethane 712.97
    DMS 577.35
    cumene 123.22
    2-octanol 98.57
    2-hexanone 441.8
    octyl acetate 223.5
    limonene 136.49
    1,2-dimethoxyethane 712.47
    ethyl orthosilicate 133.32
    tributyl phosphate 137.2
    diacetone alcohol 369.14
    N,N-dimethylaniline 254.67
    acrylonitrile 910.51
    aniline 373.93
    1,3-propanediol 186.45
    bromobenzene 1013.84
    dibromomethane 1174.14
    1,1,2,2-tetrachloroethane 1840.35
    2-methyl-cyclohexyl acetate 206.67
    tetrabutyl urea 195.22
    diisobutyl methanol 84.89
    2-phenylethanol 304.93
    styrene 326.4
    dioctyl adipate 225.6
    dimethyl sulfate 777.4
    ethyl butyrate 285.3
    methyl lactate 259.36
    butyl lactate 187.94
    diethyl carbonate 220.04
    propanediol butyl ether 227.83
    triethyl orthoformate 175.31
    p-tert-butyltoluene 106.09
    methyl 4-tert-butylbenzoate 350.15
    morpholine 1030.78
    tert-butylamine 105.97
    n-dodecanol 84.99
    dimethoxymethane 787.38
    ethylene carbonate 581.97
    cyrene 262.45
    2-ethoxyethyl acetate 474.37
    2-ethylhexyl acetate 275.28
    1,2,4-trichlorobenzene 855.53
    4-methylpyridine 1019.74
    dibutyl ether 217.61
    2,6-dimethyl-4-heptanol 84.89
    DEF 768.76
    dimethyl isosorbide 560.6
    tetrachloroethylene 1070.79
    eugenol 347.73
    triacetin 403.22
    span 80 221.98
    1,4-butanediol 89.7
    1,1-dichloroethane 1269.64
    2-methyl-1-pentanol 126.3
    methyl formate 717.05
    2-methyl-1-butanol 129.91
    n-decane 30.69
    butyronitrile 405.0
    3,7-dimethyl-1-octanol 137.23
    1-chlorooctane 153.86
    1-chlorotetradecane 68.87
    n-nonane 29.23
    undecane 25.4
    tert-butylcyclohexane 42.2
    cyclooctane 33.37
    cyclopentanol 243.99
    tetrahydropyran 855.85
    tert-amyl methyl ether 232.96
    2,5,8-trioxanonane 553.59
    1-hexene 161.68
    2-isopropoxyethanol 205.73
    2,2,2-trifluoroethanol 178.68
    methyl butyrate 519.08

    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

Botanical

Name CAS Botanical Proportion
Daylily, Headspace Living Flower 2 Hemerocallis, ssp. Satin Glass, fam. Liliaceae 1.27%
Aniba canellila Aniba canelilla (H.B.K.) Mez, fam. Lauraceae 89.8%
Lemon flower headspace (clone ZH) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 4.5%