4,6-Dinitro-O-cresol

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  • Identifiers

    CAS number
    534-52-1

    Molecular formula
    C7H6N2O5

    SMILES
    CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 58.57%
    Odorless 43.1%
    Vanilla 33.32%
    Powdery 32.89%
    Creamy 30.33%
    Fatty 27.73%
    Phenolic 27.23%
    Dry 26.12%
    Milky 26.01%
    Musk 25.86%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    198.13 g/mol

    Melting point expt.

    • 190 °F (NIOSH, 2024)
    • 86 °C
    • MP: 83-85 °C /Technical/

    Boiling point

    • 594 °F at 760 mmHg (EPA, 1998)
    • 312 °C

    Flash point est.
    154.03 ˚C

    Flash point expt.

    • None (EPA, 1998)

    Solubility expt.

    • 0.01 % (NIOSH, 2024)
    • In water, 198 mg/L at 20 °C
    • In water, 130 mg/L at 15 °C
    • Slightly soluble in water
    • Slightly soluble in petroleum ether; soluble in ethanol, ether, acetone, chloroform
    • For more Solubility (Complete) data for 4,6-Dinitro-o-cresol (7 total), please visit the HSDB record page.

  • Synonyms

    • 2-Methyl-4,6-dinitrophenol
    • 4,6-DINITRO-O-CRESOL
    • DNOC
    • 534-52-1
    • Antinonnin
    • Dinitrocresol
    • Dinitro
    • Sinox
    • Winterwash
    • Antinonin
    • Arborol
    • Capsine
    • Degrassan
    • Dekrysil
    • Dinitrol
    • Dinurania
    • Ditrosol
    • Effusan
    • Elgetol
    • Hedolit
    • Hedolite
    • Kresamone
    • Nitrador
    • Nitrofan
    • Prokarbol
    • Raphatox
    • Sandolin
    • Selinon
    • Trifocide
    • Detal
    • Dillex
    • Dinoc
    • Elipol
    • Extrar
    • Lipan
    • Rafex
    • Dinitrodendtroxal
    • 2,4-Dinitro-6-methylphenol
    • 6-Methyl-2,4-dinitrophenol
    • Sandolin A
    • 3,5-Dinitro-2-hydroxytoluene
    • Krezotol 50
    • Elgetol 30
    • Trifrina
    • Dnok
    • Kresonite-E
    • Rafex 35
    • Dn-dry mix no. 2
    • Effusan 3436
    • Chemsect DNOC
    • Dwunitro-o-krezol
    • 2,4-Dinitro-o-cresol
    • K III
    • 2-methyl-4,6-dinitro-phenol
    • K IV
    • 4,6-Dinitrokresol
    • Oranz viktoria
    • Phenol, 2-methyl-4,6-dinitro-
    • Le dinitrocresol-4,6
    • Zahlreiche bezeichnungen
    • 4,6-Dinitro-o-kresol
    • 4,6-Dinitro-o-cresolo
    • Rcra waste number P047
    • o-Cresol, 4,6-dinitro-
    • ENT 154
    • C.I. 10310
    • DTXSID1022053
    • CHEBI:39349
    • 1604ZJR09T
    • NSC-2082
    • NCGC00091775-03
    • Kreozan
    • Flavin-Samdoz
    • Neudorff DN 50
    • DTXCID902053
    • DNOK [Czech]
    • Caswell No. 390
    • Oranz viktoria [Czech]
    • DNOC [BSI:ISO]
    • Dwunitro-o-krezol [Polish]
    • 4,6-Dinitrokresol [Dutch]
    • o-Cresol, 4,6,-dinitro-
    • 4,6-Dinitro-o-cresol; 2,4-Dinitro-6-methylphenol; 2,4-Dinitro-o-cresol; 2-Methyl-4,6-dinitrophenol
    • CAS-534-52-1
    • DNOC (pesticide)
    • CCRIS 6822
    • 4,6-Dinitro-o-kresol [Czech]
    • LE dinitrocresol-4,6 [French]
    • HSDB 1596
    • Zahlreiche bezeichnungen [German]
    • 4,6-Dinitro-o-cresolo [Italian]
    • Dinitro-o-cresol, solid
    • Toluene, 3,5-dinitro-2-hydroxy-
    • NSC 2082
    • EINECS 208-601-1
    • UN1598
    • DNOC [ISO]
    • RCRA waste no. P047
    • EPA Pesticide Chemical Code 037507
    • BRN 2054389
    • Dinitrosol
    • 4,6-Dinitro-2-methylphenol
    • Elgetox
    • Detol
    • Dinok
    • UNII-1604ZJR09T
    • Dinitro Cresol
    • AI3-00154
    • AI3-01567
    • Flavin-Sandoz
    • 4,6-Dinitrocresol
    • Dinitro-ortho-cresol
    • o-Cresol,6-dinitro-
    • DNOC [HSDB]
    • DINITROCRESOL [MI]
    • EC 208-601-1
    • NCIOpen2_004211
    • SCHEMBL20734
    • Dinitromethyl cyclohexyltrienol
    • WLN: WNR BQ C1 ENW
    • 4,6 DINITRO-O-CRESOL
    • 4,6-DNOC
    • CHEMBL419564
    • NSC2082
    • DINITRO-O-CRESOL [MART.]
    • DNOC 100 microg/mL in Methanol
    • Phenol, 2-methyl, 4,6-dinitro-
    • Phenol, 2-methyl-4,6-dinitro-,

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.3
    methanol 43.19
    isopropanol 20.52
    water 0.33
    ethyl acetate 101.68
    n-propanol 19.89
    acetone 264.7
    n-butanol 17.25
    acetonitrile 102.72
    DMF 265.84
    toluene 19.88
    isobutanol 12.6
    1,4-dioxane 149.38
    methyl acetate 180.23
    THF 454.65
    2-butanone 168.03
    n-pentanol 19.95
    sec-butanol 22.77
    n-hexane 0.84
    ethylene glycol 22.85
    NMP 363.29
    cyclohexane 0.59
    DMSO 500.41
    n-butyl acetate 48.9
    n-octanol 19.65
    chloroform 19.19
    n-propyl acetate 60.99
    acetic acid 52.67
    dichloromethane 45.83
    cyclohexanone 80.46
    propylene glycol 15.15
    isopropyl acetate 54.44
    DMAc 304.13
    2-ethoxyethanol 88.13
    isopentanol 19.01
    n-heptane 2.04
    ethyl formate 48.58
    1,2-dichloroethane 56.3
    n-hexanol 23.86
    2-methoxyethanol 120.46
    isobutyl acetate 23.65
    tetrachloromethane 2.93
    n-pentyl acetate 38.02
    transcutol 213.43
    n-heptanol 17.37
    ethylbenzene 14.25
    MIBK 48.35
    2-propoxyethanol 85.07
    tert-butanol 41.18
    MTBE 52.65
    2-butoxyethanol 49.12
    propionic acid 39.64
    o-xylene 16.46
    formic acid 43.44
    diethyl ether 59.23
    m-xylene 13.37
    p-xylene 16.42
    chlorobenzene 19.92
    dimethyl carbonate 81.6
    n-octane 1.21
    formamide 120.84
    cyclopentanone 223.23
    2-pentanone 87.93
    anisole 69.8
    cyclopentyl methyl ether 72.97
    gamma-butyrolactone 256.56
    1-methoxy-2-propanol 78.41
    pyridine 100.96
    3-pentanone 77.47
    furfural 166.22
    n-dodecane 1.51
    diethylene glycol 77.03
    diisopropyl ether 14.7
    tert-amyl alcohol 37.41
    acetylacetone 155.25
    n-hexadecane 1.82
    acetophenone 70.06
    methyl propionate 100.86
    isopentyl acetate 40.74
    trichloroethylene 81.16
    n-nonanol 20.32
    cyclohexanol 14.84
    benzyl alcohol 37.61
    2-ethylhexanol 16.32
    isooctanol 12.99
    dipropyl ether 26.1
    1,2-dichlorobenzene 21.9
    ethyl lactate 34.07
    propylene carbonate 85.43
    n-methylformamide 109.21
    2-pentanol 16.52
    n-pentane 0.89
    1-propoxy-2-propanol 48.11
    1-methoxy-2-propyl acetate 74.85
    2-(2-methoxypropoxy) propanol 67.64
    mesitylene 8.24
    ε-caprolactone 86.85
    p-cymene 12.47
    epichlorohydrin 261.77
    1,1,1-trichloroethane 30.86
    2-aminoethanol 22.11
    morpholine-4-carbaldehyde 250.32
    sulfolane 302.41
    2,2,4-trimethylpentane 1.03
    2-methyltetrahydrofuran 161.57
    n-hexyl acetate 51.09
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 83.91
    sec-butyl acetate 37.32
    tert-butyl acetate 71.41
    decalin 1.57
    glycerin 32.31
    diglyme 149.16
    acrylic acid 48.15
    isopropyl myristate 24.96
    n-butyric acid 31.05
    acetyl acetate 67.88
    di(2-ethylhexyl) phthalate 24.48
    ethyl propionate 61.94
    nitromethane 339.6
    1,2-diethoxyethane 67.29
    benzonitrile 38.98
    trioctyl phosphate 17.73
    1-bromopropane 19.12
    gamma-valerolactone 212.23
    n-decanol 15.92
    triethyl phosphate 27.92
    4-methyl-2-pentanol 11.52
    propionitrile 39.98
    vinylene carbonate 64.17
    1,1,2-trichlorotrifluoroethane 95.28
    DMS 75.37
    cumene 10.13
    2-octanol 13.14
    2-hexanone 67.56
    octyl acetate 33.5
    limonene 16.75
    1,2-dimethoxyethane 143.96
    ethyl orthosilicate 22.6
    tributyl phosphate 20.31
    diacetone alcohol 86.75
    N,N-dimethylaniline 39.29
    acrylonitrile 69.67
    aniline 26.44
    1,3-propanediol 30.06
    bromobenzene 17.04
    dibromomethane 22.06
    1,1,2,2-tetrachloroethane 49.87
    2-methyl-cyclohexyl acetate 36.87
    tetrabutyl urea 32.48
    diisobutyl methanol 10.63
    2-phenylethanol 43.8
    styrene 17.69
    dioctyl adipate 39.0
    dimethyl sulfate 158.33
    ethyl butyrate 39.27
    methyl lactate 54.78
    butyl lactate 26.73
    diethyl carbonate 32.18
    propanediol butyl ether 40.98
    triethyl orthoformate 28.56
    p-tert-butyltoluene 12.33
    methyl 4-tert-butylbenzoate 56.37
    morpholine 132.23
    tert-butylamine 13.85
    n-dodecanol 11.68
    dimethoxymethane 177.11
    ethylene carbonate 48.65
    cyrene 89.1
    2-ethoxyethyl acetate 75.56
    2-ethylhexyl acetate 32.54
    1,2,4-trichlorobenzene 33.88
    4-methylpyridine 79.5
    dibutyl ether 23.98
    2,6-dimethyl-4-heptanol 10.63
    DEF 101.28
    dimethyl isosorbide 132.78
    tetrachloroethylene 29.84
    eugenol 52.9
    triacetin 68.1
    span 80 39.84
    1,4-butanediol 15.93
    1,1-dichloroethane 33.2
    2-methyl-1-pentanol 20.14
    methyl formate 131.33
    2-methyl-1-butanol 17.51
    n-decane 2.37
    butyronitrile 25.97
    3,7-dimethyl-1-octanol 16.37
    1-chlorooctane 11.66
    1-chlorotetradecane 5.62
    n-nonane 1.89
    undecane 1.92
    tert-butylcyclohexane 1.53
    cyclooctane 0.49
    cyclopentanol 26.17
    tetrahydropyran 67.51
    tert-amyl methyl ether 50.62
    2,5,8-trioxanonane 121.9
    1-hexene 5.92
    2-isopropoxyethanol 57.46
    2,2,2-trifluoroethanol 37.72
    methyl butyrate 65.7

    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