Dinoseb

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  • Identifiers

    CAS number
    88-85-7

    Molecular formula
    C10H12N2O5

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 54.41%
    Odorless 37.64%
    Musk 32.2%
    Fatty 31.43%
    Powdery 30.81%
    Floral 30.19%
    Dry 29.8%
    Balsamic 25.96%
    Vanilla 25.16%
    Creamy 24.77%

     

    Flavor
    Bitter 70.81%
    Odorless 43.91%
    Bland 26.13%
    Mild 24.58%
    Nitrile 20.5%
    Sweet-like 20.16%
    Cedarleaf 20.06%
    Lovage 19.42%
    Heather 19.14%
    Parsley 19.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.31 (weak base)

    Molecular weight
    240.21 g/mol

    Melting point expt.

    • 100 to 108 °F (EPA, 1998)
    • 38-42 °C
    • 40 - 41 °C

    Boiling point

    • 332 °C

    Flash point

    • 136.44 ˚C est.
    • 60.1 to 84.9 °F for 3 commercial products (EPA, 1998)
    • 15.6 °C, (CLOSED CUP) (DOW GENERAL WEED KILLER); 18.9 °C, (CLOSED CUP) (DOW SELECTIVE WEED KILLER)
    • >100 °C

    Solubility expt.

    • 0.0052 G/100 G WATER; 48 G/100 G ETHANOL; 27 G/100 G N-HEPTANE; MISCIBLE IN ETHYL ETHER, TOLUENE, & XYLENE
    • 0.052 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.005 (very poor)

  • Synonyms

    • DINOSEB
    • 88-85-7
    • 2-sec-Butyl-4,6-dinitrophenol
    • Butaphene
    • Caldon
    • Basanite
    • Hivertox
    • Dibutox
    • Kiloseb
    • Sparic
    • Spurge
    • Subitex
    • Aatox
    • 2-(1-Methylpropyl)-4,6-dinitrophenol
    • Desicoil
    • Gebutox
    • Phenotan
    • Premerge
    • Dytop
    • Laseb
    • DINITROBUTYLPHENOL
    • 4,6-Dinitro-2-sec-butylphenol
    • Dow General
    • Nitropone C
    • DNBP
    • 2,4-Dinitro-6-sec-butylphenol
    • Liro DNBP
    • Blaartox
    • Dinitrall
    • Dinosebe
    • Ladob
    • DBNF
    • DNOSBP
    • DNSBP
    • Elgetol 318
    • Unicrop dnbp
    • 4,6-Dinitro-o-sec-butylphenol
    • Hel-fire
    • Dow general weed killer
    • Dow selective weed killer
    • Dibutox 20CE
    • Chemox P.E.
    • Premerg
    • Phenol, 2-(1-methylpropyl)-4,6-dinitro-
    • Sinox general
    • 2,4-Dinitro-6-(1-methylpropyl)phenol
    • Phenol, 2-sec-butyl-4,6-dinitro-
    • BNP 20
    • BNP 30
    • Ent 1,122
    • Rcra waste number P020
    • Vertac dinitro weed killer
    • Vertac general weed killer
    • 2-butan-2-yl-4,6-dinitrophenol
    • Vertac selective weed killer
    • 4,6-Dinitro-2-(1-methyl-n-propyl)phenol
    • DN 289
    • Dinitro-ortho-sec-butyl phenol
    • Tubotox
    • 4,6-Dinitro-2-sec.butylfenol
    • Phenol,2-(1-methylpropyl)-4,6-dinitro-
    • WSX-8365
    • Dinitro-3
    • YD44ZEM22M
    • 6-(1-Methyl-propyl)-2,4-dinitrofenol
    • 4,6-Dinitro-2-(1-methyl-propyl)phenol
    • 6-(1-Metil-propil)-2,4-dinitro-fenolo
    • DTXSID3020207
    • DINOSEB [HSDB]
    • DINOSEB [ISO]
    • DINOSEB [MI]
    • NSC-202753
    • 2-[1-methylpropyl]-4,6-dinitrophenol
    • DTXCID30207
    • 6-sec-Butyl-2,4-dinitrophenol
    • CHEBI:83632
    • 4,6-Dinitro-2-(2-butyl)phenol
    • 2-(butan-2-yl)-4,6-dinitrophenol
    • 2,4-Dinitro-6-(1-methyl-propyl)phenol
    • Knox-weed
    • Dinosebe [French]
    • Gebutox; knox-weed
    • pnosbp
    • Dinitrax
    • unicorp dnbp
    • Caswell No. 392DD
    • Dinosebe [ISO-French]
    • CAS-88-85-7
    • Dinoseb [ANSI:BSI:ISO]
    • DNPB
    • HSDB 1445
    • WSX 8365
    • Dinitro-o-sec-butylphenol
    • EINECS 201-861-7
    • RCRA waste no. P020
    • UNII-YD44ZEM22M
    • EPA Pesticide Chemical Code 037505
    • NSC 202753
    • 4,6-Dinitro-2-sec.butylfenol [Czech]
    • BRN 3211812
    • AI3-01122
    • Premerge 3
    • 6-(1-Methyl-propyl)-2,4-dinitrofenol [Dutch]
    • 6-(1-Metil-propil)-2,4-dinitro-fenolo [Italian]
    • Aretit (Salt/Mix)
    • Ivosit (Salt/Mix)
    • NITROPONE
    • 2-sec-Butyl-4,6-dinitrophenol (dinoseb)
    • DINITRO WEED KILLER
    • EC 201-861-7
    • Dinoseb, analytical standard
    • SCHEMBL54664
    • CHEMBL1892987
    • CHEBI:34719
    • 2-Sec-butyl-4,6-dinitro-Phenol
    • 2-butan-2-yl-4,6-dinitro-phenol
    • WLN: WNR BQ ENW C1Y1&1
    • Tox21_201878
    • Tox21_300421
    • NSC202753
    • Dinoseb 10 microg/mL in Acetonitrile
    • AKOS015902632
    • Dinoseb 100 microg/mL in Acetonitrile
    • NCGC00164373-01
    • NCGC00164373-02
    • NCGC00164373-03
    • NCGC00254442-01
    • NCGC00259427-01

  • Applications

    Dinoseb (CAS 88-85-7) is an agricultural herbicide used primarily as a soil-applied active ingredient to control annual grasses and broadleaf weeds in various crops; it is formulated into commercial herbicide products in forms such as granules or liquid concentrates for pre-plant or pre-emergence weed management; as an active ingredient, it plays a central role in crop protection programs across different crops; its use is subject to local regulatory controls due to toxicity and environmental considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.84
    methanol 121.03
    isopropanol 49.23
    water 0.38
    ethyl acetate 356.15
    n-propanol 60.21
    acetone 699.12
    n-butanol 43.95
    acetonitrile 428.62
    DMF 2355.6
    toluene 116.05
    isobutanol 38.03
    1,4-dioxane 389.5
    methyl acetate 578.33
    THF 1142.71
    2-butanone 541.87
    n-pentanol 34.2
    sec-butanol 51.75
    n-hexane 1.74
    ethylene glycol 70.53
    NMP 3299.21
    cyclohexane 2.54
    DMSO 2886.89
    n-butyl acetate 173.63
    n-octanol 14.4
    chloroform 274.02
    n-propyl acetate 167.11
    acetic acid 299.05
    dichloromethane 567.63
    cyclohexanone 532.12
    propylene glycol 66.94
    isopropyl acetate 169.89
    DMAc 1686.96
    2-ethoxyethanol 181.32
    isopentanol 40.73
    n-heptane 1.96
    ethyl formate 210.01
    1,2-dichloroethane 507.09
    n-hexanol 43.18
    2-methoxyethanol 405.41
    isobutyl acetate 63.17
    tetrachloromethane 30.68
    n-pentyl acetate 82.34
    transcutol 603.8
    n-heptanol 18.61
    ethylbenzene 50.77
    MIBK 126.91
    2-propoxyethanol 195.3
    tert-butanol 69.52
    MTBE 95.53
    2-butoxyethanol 87.85
    propionic acid 203.04
    o-xylene 76.9
    formic acid 222.4
    diethyl ether 93.37
    m-xylene 67.41
    p-xylene 58.89
    chlorobenzene 220.52
    dimethyl carbonate 395.44
    n-octane 0.64
    formamide 793.01
    cyclopentanone 1403.4
    2-pentanone 309.85
    anisole 249.79
    cyclopentyl methyl ether 308.67
    gamma-butyrolactone 1792.64
    1-methoxy-2-propanol 276.28
    pyridine 670.47
    3-pentanone 291.03
    furfural 1460.45
    n-dodecane 0.57
    diethylene glycol 203.53
    diisopropyl ether 25.07
    tert-amyl alcohol 75.6
    acetylacetone 690.4
    n-hexadecane 0.73
    acetophenone 343.89
    methyl propionate 481.02
    isopentyl acetate 121.73
    trichloroethylene 1200.64
    n-nonanol 14.72
    cyclohexanol 54.32
    benzyl alcohol 166.97
    2-ethylhexanol 28.99
    isooctanol 14.31
    dipropyl ether 43.12
    1,2-dichlorobenzene 227.37
    ethyl lactate 110.99
    propylene carbonate 567.33
    n-methylformamide 897.4
    2-pentanol 33.12
    n-pentane 1.74
    1-propoxy-2-propanol 124.69
    1-methoxy-2-propyl acetate 297.32
    2-(2-methoxypropoxy) propanol 155.32
    mesitylene 29.9
    ε-caprolactone 511.97
    p-cymene 30.63
    epichlorohydrin 1828.18
    1,1,1-trichloroethane 275.08
    2-aminoethanol 87.27
    morpholine-4-carbaldehyde 1610.68
    sulfolane 2670.0
    2,2,4-trimethylpentane 1.96
    2-methyltetrahydrofuran 554.33
    n-hexyl acetate 112.61
    isooctane 1.18
    2-(2-butoxyethoxy)ethanol 170.54
    sec-butyl acetate 98.29
    tert-butyl acetate 206.5
    decalin 3.58
    glycerin 143.96
    diglyme 418.25
    acrylic acid 308.5
    isopropyl myristate 35.23
    n-butyric acid 158.56
    acetyl acetate 290.02
    di(2-ethylhexyl) phthalate 60.54
    ethyl propionate 181.37
    nitromethane 1923.2
    1,2-diethoxyethane 127.52
    benzonitrile 237.73
    trioctyl phosphate 33.15
    1-bromopropane 93.43
    gamma-valerolactone 1484.14
    n-decanol 10.71
    triethyl phosphate 75.93
    4-methyl-2-pentanol 20.79
    propionitrile 162.58
    vinylene carbonate 498.49
    1,1,2-trichlorotrifluoroethane 766.37
    DMS 322.82
    cumene 28.65
    2-octanol 10.25
    2-hexanone 154.07
    octyl acetate 54.58
    limonene 43.99
    1,2-dimethoxyethane 328.09
    ethyl orthosilicate 54.97
    tributyl phosphate 52.36
    diacetone alcohol 277.87
    N,N-dimethylaniline 130.36
    acrylonitrile 459.47
    aniline 198.77
    1,3-propanediol 96.7
    bromobenzene 195.86
    dibromomethane 233.52
    1,1,2,2-tetrachloroethane 622.04
    2-methyl-cyclohexyl acetate 105.52
    tetrabutyl urea 74.1
    diisobutyl methanol 16.19
    2-phenylethanol 139.79
    styrene 75.46
    dioctyl adipate 89.03
    dimethyl sulfate 1074.0
    ethyl butyrate 118.35
    methyl lactate 300.25
    butyl lactate 83.7
    diethyl carbonate 91.26
    propanediol butyl ether 93.26
    triethyl orthoformate 67.94
    p-tert-butyltoluene 29.42
    methyl 4-tert-butylbenzoate 171.31
    morpholine 526.69
    tert-butylamine 25.41
    n-dodecanol 7.66
    dimethoxymethane 642.65
    ethylene carbonate 305.29
    cyrene 298.36
    2-ethoxyethyl acetate 231.27
    2-ethylhexyl acetate 96.43
    1,2,4-trichlorobenzene 362.48
    4-methylpyridine 618.66
    dibutyl ether 22.19
    2,6-dimethyl-4-heptanol 16.19
    DEF 561.44
    dimethyl isosorbide 446.26
    tetrachloroethylene 323.15
    eugenol 164.53
    triacetin 226.61
    span 80 98.81
    1,4-butanediol 42.35
    1,1-dichloroethane 260.2
    2-methyl-1-pentanol 35.13
    methyl formate 793.35
    2-methyl-1-butanol 45.05
    n-decane 0.95
    butyronitrile 96.04
    3,7-dimethyl-1-octanol 20.43
    1-chlorooctane 10.48
    1-chlorotetradecane 3.76
    n-nonane 0.83
    undecane 0.73
    tert-butylcyclohexane 2.75
    cyclooctane 1.12
    cyclopentanol 125.45
    tetrahydropyran 218.64
    tert-amyl methyl ether 98.82
    2,5,8-trioxanonane 270.66
    1-hexene 12.65
    2-isopropoxyethanol 105.15
    2,2,2-trifluoroethanol 194.04
    methyl butyrate 232.23

    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