2-Nitro-4-cresol

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  • Identifiers

    CAS number
    119-33-5

    Molecular formula
    C7H7NO3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 59.96%
    Phenolic 49.85%
    Vanilla 34.78%
    Powdery 34.49%
    Floral 33.82%
    Odorless 32.22%
    Bitter 31.59%
    Spicy 29.95%
    Aromatic 29.29%
    Balsamic 29.08%

     

    Flavor
    Bitter 62.21%
    Odorless 41.03%
    Phenolic 37.87%
    Mild 35.76%
    Nutty 22.09%
    Nitrile 21.9%
    Urine 21.83%
    Orange flower 21.28%
    Very strong 21.04%
    Cadaverous 20.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.36 (weak base)

    Molecular weight
    153.14 g/mol

    Flash point

    • 117.64 ˚C est.

  • Synonyms

    • 4-Methyl-2-nitrophenol
    • 119-33-5
    • 2-NITRO-P-CRESOL
    • Phenol, 4-methyl-2-nitro-
    • 2-Nitro-4-methylphenol
    • o-Nitro-p-cresol
    • 4-Hydroxy-3-nitrotoluene
    • 2-Nitro-4-cresol
    • p-Cresol, 2-nitro-
    • 4-METHYL-2-NITRO-PHENOL
    • MFCD00007120
    • NSC 5387
    • 12167-20-3
    • EINECS 204-315-6
    • P92KPK2NL3
    • BRN 1868022
    • Phenol, methylnitro-
    • DTXSID0026961
    • AI3-15389
    • NSC-5387
    • O-NITRO-P-METHYLPHENOL
    • DTXCID606961
    • 68137-08-6
    • 4-06-00-02149 (Beilstein Handbook Reference)
    • WLN: WNR BQ E1
    • UNII-P92KPK2NL3
    • oNitropcresol
    • 2Nitropcresol
    • Methylnitrophenol
    • pCresol, 2nitro
    • 2-nitro p-cresol
    • 2Nitro4methylphenol
    • 4Methyl2nitrophenol
    • 4Hydroxy3nitrotoluene
    • 3(OR 4)-METHYL-2-NITROPHENOL
    • Phenol, 4methyl2nitro
    • 4-methyl-2-nitro phenol
    • 1Hydroxy4methyl2nitrobenzene
    • SCHEMBL306096
    • 4-Methyl-2-nitrophenol, 99%
    • CHEMBL1234658
    • NSC5387
    • NSC66511
    • STR03111
    • Tox21_200933
    • NSC-66511
    • STK399771
    • AKOS001094378
    • DB04110
    • FM15721
    • PS-4598
    • NCGC00248879-01
    • NCGC00258487-01
    • AC-11583
    • CAS-119-33-5
    • PD006959
    • DB-041464
    • N0186
    • NS00014600
    • EN300-18616
    • D91654
    • Q27094955
    • Z85939128
    • 204-315-6

  • Applications

    2-Nitro-4-cresol (CAS 119-33-5) is primarily used as an intermediate in the synthesis of dye and pigment precursors, particularly for azo and other nitroaromatic dye chemistries. It is also employed as a building block in the production of specialty polymers and resin formulations, where it can serve as a functionalized aromatic component in coatings and plastics. The compound may serve as an intermediate in the manufacture of agrochemicals and pharmaceutical intermediates, enabling subsequent transformations. In coatings and inks, it acts as a precursor for colorants and functional additives. Additionally, it is often evaluated as a starting point for the synthesis of other nitroaromatic compounds in R&D settings, with use subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.11
    methanol 130.95
    isopropanol 92.45
    water 1.2
    ethyl acetate 260.22
    n-propanol 85.03
    acetone 562.01
    n-butanol 91.17
    acetonitrile 227.24
    DMF 711.6
    toluene 43.68
    isobutanol 71.49
    1,4-dioxane 214.73
    methyl acetate 290.82
    THF 1345.23
    2-butanone 461.98
    n-pentanol 73.68
    sec-butanol 105.09
    n-hexane 7.04
    ethylene glycol 57.64
    NMP 211.94
    cyclohexane 4.18
    DMSO 888.54
    n-butyl acetate 104.37
    n-octanol 82.59
    chloroform 103.34
    n-propyl acetate 110.39
    acetic acid 50.51
    dichloromethane 140.54
    cyclohexanone 193.49
    propylene glycol 54.33
    isopropyl acetate 115.18
    DMAc 423.79
    2-ethoxyethanol 152.2
    isopentanol 90.96
    n-heptane 6.8
    ethyl formate 163.51
    1,2-dichloroethane 170.0
    n-hexanol 99.07
    2-methoxyethanol 302.53
    isobutyl acetate 54.85
    tetrachloromethane 13.63
    n-pentyl acetate 68.92
    transcutol 276.49
    n-heptanol 62.3
    ethylbenzene 36.37
    MIBK 146.15
    2-propoxyethanol 220.14
    tert-butanol 156.64
    MTBE 134.67
    2-butoxyethanol 120.6
    propionic acid 69.7
    o-xylene 33.97
    formic acid 54.93
    diethyl ether 132.15
    m-xylene 44.28
    p-xylene 40.16
    chlorobenzene 61.65
    dimethyl carbonate 132.3
    n-octane 5.3
    formamide 132.87
    cyclopentanone 532.09
    2-pentanone 307.53
    anisole 121.67
    cyclopentyl methyl ether 174.9
    gamma-butyrolactone 428.2
    1-methoxy-2-propanol 230.8
    pyridine 126.42
    3-pentanone 193.38
    furfural 263.09
    n-dodecane 6.11
    diethylene glycol 190.91
    diisopropyl ether 36.51
    tert-amyl alcohol 134.19
    acetylacetone 351.95
    n-hexadecane 6.95
    acetophenone 94.55
    methyl propionate 225.22
    isopentyl acetate 87.54
    trichloroethylene 219.92
    n-nonanol 70.86
    cyclohexanol 59.57
    benzyl alcohol 70.28
    2-ethylhexanol 56.65
    isooctanol 49.4
    dipropyl ether 58.96
    1,2-dichlorobenzene 56.27
    ethyl lactate 69.15
    propylene carbonate 136.76
    n-methylformamide 263.05
    2-pentanol 72.74
    n-pentane 5.61
    1-propoxy-2-propanol 134.19
    1-methoxy-2-propyl acetate 131.18
    2-(2-methoxypropoxy) propanol 124.74
    mesitylene 29.11
    ε-caprolactone 128.55
    p-cymene 26.27
    epichlorohydrin 541.92
    1,1,1-trichloroethane 108.96
    2-aminoethanol 71.78
    morpholine-4-carbaldehyde 239.29
    sulfolane 415.49
    2,2,4-trimethylpentane 5.59
    2-methyltetrahydrofuran 303.15
    n-hexyl acetate 111.34
    isooctane 6.13
    2-(2-butoxyethoxy)ethanol 161.13
    sec-butyl acetate 64.18
    tert-butyl acetate 136.55
    decalin 6.5
    glycerin 90.11
    diglyme 261.51
    acrylic acid 61.11
    isopropyl myristate 48.26
    n-butyric acid 93.34
    acetyl acetate 107.11
    di(2-ethylhexyl) phthalate 37.04
    ethyl propionate 121.61
    nitromethane 388.71
    1,2-diethoxyethane 100.91
    benzonitrile 79.7
    trioctyl phosphate 37.34
    1-bromopropane 92.78
    gamma-valerolactone 334.46
    n-decanol 55.76
    triethyl phosphate 43.61
    4-methyl-2-pentanol 55.03
    propionitrile 148.27
    vinylene carbonate 105.57
    1,1,2-trichlorotrifluoroethane 178.58
    DMS 99.36
    cumene 27.88
    2-octanol 52.83
    2-hexanone 155.26
    octyl acetate 64.23
    limonene 32.73
    1,2-dimethoxyethane 301.09
    ethyl orthosilicate 37.72
    tributyl phosphate 40.71
    diacetone alcohol 202.67
    N,N-dimethylaniline 68.07
    acrylonitrile 201.05
    aniline 57.67
    1,3-propanediol 113.92
    bromobenzene 57.92
    dibromomethane 92.22
    1,1,2,2-tetrachloroethane 156.07
    2-methyl-cyclohexyl acetate 56.15
    tetrabutyl urea 61.41
    diisobutyl methanol 41.47
    2-phenylethanol 91.57
    styrene 40.87
    dioctyl adipate 57.65
    dimethyl sulfate 218.44
    ethyl butyrate 73.77
    methyl lactate 118.0
    butyl lactate 59.82
    diethyl carbonate 52.95
    propanediol butyl ether 116.82
    triethyl orthoformate 44.39
    p-tert-butyltoluene 27.9
    methyl 4-tert-butylbenzoate 93.66
    morpholine 218.18
    tert-butylamine 68.43
    n-dodecanol 42.68
    dimethoxymethane 400.97
    ethylene carbonate 85.62
    cyrene 108.87
    2-ethoxyethyl acetate 93.45
    2-ethylhexyl acetate 61.06
    1,2,4-trichlorobenzene 62.75
    4-methylpyridine 130.47
    dibutyl ether 60.85
    2,6-dimethyl-4-heptanol 41.47
    DEF 197.12
    dimethyl isosorbide 186.5
    tetrachloroethylene 78.97
    eugenol 108.29
    triacetin 74.92
    span 80 79.95
    1,4-butanediol 54.37
    1,1-dichloroethane 131.54
    2-methyl-1-pentanol 71.23
    methyl formate 292.0
    2-methyl-1-butanol 78.46
    n-decane 8.85
    butyronitrile 141.34
    3,7-dimethyl-1-octanol 73.95
    1-chlorooctane 44.1
    1-chlorotetradecane 19.69
    n-nonane 8.16
    undecane 7.35
    tert-butylcyclohexane 8.06
    cyclooctane 2.76
    cyclopentanol 97.38
    tetrahydropyran 178.46
    tert-amyl methyl ether 105.09
    2,5,8-trioxanonane 194.07
    1-hexene 37.07
    2-isopropoxyethanol 103.82
    2,2,2-trifluoroethanol 43.67
    methyl butyrate 151.57

    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