Omethoate

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  • Identifiers

    CAS number
    1113-02-6

    Molecular formula
    C5H12NO4PS

    SMILES
    CNC(=O)CSP(=O)(OC)OC

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 52.9%
    Meaty 42.89%
    Savory 38.5%
    Roasted 36.99%
    Odorless 34.26%
    Onion 31.41%
    Cooked 30.3%
    Cheesy 28.31%
    Tropical 24.41%
    Fresh 23.63%

     

    Flavor
    Cooked 33.14%
    Roasted 27.66%
    Sulfury 27.56%
    Cabbage 27.2%
    Odorless 26.54%
    Sulfurous 25.43%
    Fruity 25.26%
    Onion 24.29%
    Taco 21.31%
    Bouillon 20.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    6.02 (neutral)

    Molecular weight
    213.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • Solidifies at -28 °C

    Boiling point

    • Decomposes at about 135 °C

    Flash point

    • 122.58 ˚C est.

    Solubility expt.

    • Readily soluble in alcohols, acetone, and many hydrocarbons. Slightly soluble in diethyl ether. Almost insoluble in petroleum ether.
    • Soluble in toluene. Miscible in dichloromethane, 2-propanol. Nearly insoluble in n-hexane.
    • Readily soluble in water.

  • Synonyms

    • OMETHOATE
    • Dimethoxon
    • 1113-02-6
    • Folimat
    • PO-Dimethoate
    • Omethoat
    • Dimethoate-met
    • Dimethoate PO isologue
    • O-methoate
    • Bayer 45,432
    • BAY 45432
    • 2-Dimethoxyphosphinoylthio-N-methylacetamide
    • Bayer S-6876
    • ENT 25,776
    • O,O-Dimethyl S-(N-methylcarbamoylmethyl) thiophosphate
    • DTXSID4037580
    • O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorothioate
    • O,O-Dimethyl-S-(N-methylcarbamoylmethyl)phosphorothioate
    • O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorothiolate
    • O,O-Dimethyl S-methylcarbamoylmethyl phosphorothioate
    • S6876
    • Phosphorothioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester
    • S-6876
    • Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide
    • O,O-Dimethyl S-(2-(methylamino)-2-oxoethyl) phosphorothioate
    • 28U28EWE79
    • DTXCID2017580
    • CHEBI:38730
    • O,O-Dimethyl phosphorothioate S-ester with 2-mercapto-N-methylacetamide
    • Phosphorothioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester
    • BAY-45432
    • O,O-Dimethyl S-[(methylcarbamoyl)methyl] phosphorothioate
    • O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorothioate
    • O,O-DIMETHYL S-((METHYLCARBAMOYL)METHYL) PHOSPHOROTHIOATE
    • RefChem:168221
    • 214-197-8
    • Dimethoate Oxon
    • 2-dimethoxyphosphorylsulfanyl-N-methylacetamide
    • O,O-Dimethyl-S-(2-oxo-3-azabutyl)-monothiophosphate
    • Dimethyl-S-(N-methyl-carbamoyl-methyl)phosphorothiolate
    • O,O-Dimethyl S-(2-(methylamino)-2-oxoethyl)phosphorothioate
    • Acetamide, 2-mercapto-N-methyl-, S-ester with O,O-dimethyl phosphorothioate
    • O,O-Dimetil-S-(N-metil-carbamoil)-metil-monotiofosfato
    • O,O-Dimethyl-S-((N-methyl-carbamoyl)-methyl)-monothiofosfaat
    • Thiophosphate de O,O-dimethyle et de S-(N-methylcarbamoyl) methyle
    • P=O-Rogor
    • o,o-Dimethyl S-[2-(methylamino)-2-oxoethyl] thiophosphate
    • Omethoate [BSI:ISO]
    • Bayer 45432
    • C5H12NO4PS
    • Omethoate [ISO]
    • HSDB 6715
    • EINECS 214-197-8
    • BRN 1785256
    • UNII-28U28EWE79
    • AI3-25776
    • dimethoate TP
    • Folimat 4E
    • PO-Rogor
    • OMETHOATE [HSDB]
    • O,O-Dimethyl-S-(N-methyl-carbamoyl-methyl)-thiolphosphat [German]
    • O,O-Dimetil-S-(N-metil-carbamoil)-metil-monotiofosfato [Italian]
    • O,O-Dimethyl-S-((N-methyl-carbamoyl)-methyl)-monothiofosfaat [Dutch]
    • O,O-Dimethyl-S-(N-methyl-carbamoyl)-methyl-monothiophosphat [German]
    • Thiophosphate de O,O-dimethyle et de S-(N-methylcarbamoyl) methyle [French]
    • 2-dimethoxyphosphorylsulfanyl-N-methyl-acetamide
    • SCHEMBL63063
    • 4-04-00-00251 (Beilstein Handbook Reference)
    • Omethoate, analytical standard
    • CHEMBL2270068
    • O,O-Dimethyl-S-(N-methyl-carbamoyl-methyl)-thiolphosphat
    • O,O-Dimethyl-S-(N-methyl-carbamoyl)-methyl-monothiophosphat
    • MSK20167
    • PXB51077
    • Tox21_300968
    • MFCD00055441
    • Omethoate 100 microg/mL in Acetone
    • Phosphorothioic Acid O,O-dimethyl S-[2-(methylamino)-2-oxoethyl]ester
    • AKOS015893016
    • Omethoate 1000 microg/mL in Acetone
    • FO26570
    • NCGC00160633-01
    • NCGC00160633-02
    • NCGC00254871-01
    • CAS-1113-02-6
    • DB-040962
    • NS00000063
    • Omethoate, PESTANAL(R), analytical standard
    • C18662
    • F21411
    • 113O026
    • Q2204769
    • O,O-Dimethyl-S-(N-methyl-carbamoyl-methyl)-thiolphosphate
    • O,O-Dimethyl S-[2-(methylamino)-2-oxoethyl] thiophosphate #
    • O,O-Dimethyl-S-(N-methyl-carbamoyl)-methyl-monothiophosphate
    • PHOSPHOROTHIOIC ACID, O,O-DIMETHYL S-(METHYLCARBAMOYLMETHYL) ESTER
    • Phosphorothioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl]ester
    • 1113-02-6

  • Applications

    Omethoate (CAS 1113-02-6) is an organophosphate insecticide used in agriculture to control pest insects on a range of crops. In field crop production (vegetables and cereals), it is typically applied as an emulsifiable concentrate to manage pests such as aphids, whiteflies, mites, and thrips. It is also used on fruit crops to protect orchards and on greenhouse and outdoor ornamental horticulture to safeguard ornamentals and landscape plants. Additionally, it is employed in landscape and turf management settings to address insect pests. In many programs it supports integrated pest management by providing rapid knockdown of targeted pests. Use is subject to local regulations and formulation-specific label directions, including pre-harvest intervals and safety considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.63
    methanol 232.41
    isopropanol 54.0
    water 108.31
    ethyl acetate 30.28
    n-propanol 58.33
    acetone 66.92
    n-butanol 43.34
    acetonitrile 70.5
    DMF 386.73
    toluene 8.92
    isobutanol 36.08
    1,4-dioxane 124.72
    methyl acetate 56.47
    THF 133.74
    2-butanone 47.21
    n-pentanol 27.15
    sec-butanol 43.48
    n-hexane 0.92
    ethylene glycol 71.78
    NMP 363.6
    cyclohexane 4.3
    DMSO 262.27
    n-butyl acetate 16.45
    n-octanol 14.67
    chloroform 61.47
    n-propyl acetate 20.71
    acetic acid 165.31
    dichloromethane 72.09
    cyclohexanone 77.75
    propylene glycol 43.74
    isopropyl acetate 18.93
    DMAc 324.92
    2-ethoxyethanol 123.37
    isopentanol 31.56
    n-heptane 1.73
    ethyl formate 62.08
    1,2-dichloroethane 42.13
    n-hexanol 17.74
    2-methoxyethanol 249.55
    isobutyl acetate 11.89
    tetrachloromethane 10.4
    n-pentyl acetate 18.4
    transcutol 110.07
    n-heptanol 16.93
    ethylbenzene 5.63
    MIBK 17.44
    2-propoxyethanol 65.66
    tert-butanol 60.26
    MTBE 34.73
    2-butoxyethanol 55.21
    propionic acid 55.2
    o-xylene 11.85
    formic acid 283.49
    diethyl ether 29.02
    m-xylene 5.95
    p-xylene 8.28
    chlorobenzene 16.09
    dimethyl carbonate 34.29
    n-octane 1.13
    formamide 426.05
    cyclopentanone 105.48
    2-pentanone 29.04
    anisole 28.3
    cyclopentyl methyl ether 39.21
    gamma-butyrolactone 141.65
    1-methoxy-2-propanol 99.87
    pyridine 75.28
    3-pentanone 25.3
    furfural 210.12
    n-dodecane 0.95
    diethylene glycol 94.79
    diisopropyl ether 6.32
    tert-amyl alcohol 52.58
    acetylacetone 41.87
    n-hexadecane 1.05
    acetophenone 37.32
    methyl propionate 37.65
    isopentyl acetate 17.2
    trichloroethylene 73.34
    n-nonanol 14.18
    cyclohexanol 39.06
    benzyl alcohol 38.35
    2-ethylhexanol 11.34
    isooctanol 13.49
    dipropyl ether 12.12
    1,2-dichlorobenzene 20.45
    ethyl lactate 24.19
    propylene carbonate 67.8
    n-methylformamide 213.87
    2-pentanol 22.32
    n-pentane 1.78
    1-propoxy-2-propanol 35.15
    1-methoxy-2-propyl acetate 29.04
    2-(2-methoxypropoxy) propanol 46.3
    mesitylene 4.36
    ε-caprolactone 74.74
    p-cymene 5.87
    epichlorohydrin 131.64
    1,1,1-trichloroethane 22.07
    2-aminoethanol 102.44
    morpholine-4-carbaldehyde 307.38
    sulfolane 172.55
    2,2,4-trimethylpentane 1.46
    2-methyltetrahydrofuran 77.64
    n-hexyl acetate 21.12
    isooctane 0.67
    2-(2-butoxyethoxy)ethanol 55.13
    sec-butyl acetate 13.22
    tert-butyl acetate 23.45
    decalin 1.63
    glycerin 101.76
    diglyme 127.99
    acrylic acid 71.33
    isopropyl myristate 9.31
    n-butyric acid 52.25
    acetyl acetate 26.19
    di(2-ethylhexyl) phthalate 16.44
    ethyl propionate 18.67
    nitromethane 310.1
    1,2-diethoxyethane 27.77
    benzonitrile 33.66
    trioctyl phosphate 11.13
    1-bromopropane 14.19
    gamma-valerolactone 205.52
    n-decanol 10.25
    triethyl phosphate 16.84
    4-methyl-2-pentanol 12.23
    propionitrile 39.73
    vinylene carbonate 75.13
    1,1,2-trichlorotrifluoroethane 131.33
    DMS 23.34
    cumene 4.71
    2-octanol 10.93
    2-hexanone 20.59
    octyl acetate 13.78
    limonene 8.96
    1,2-dimethoxyethane 158.12
    ethyl orthosilicate 15.98
    tributyl phosphate 11.38
    diacetone alcohol 42.18
    N,N-dimethylaniline 25.92
    acrylonitrile 63.78
    aniline 32.37
    1,3-propanediol 109.65
    bromobenzene 11.02
    dibromomethane 31.82
    1,1,2,2-tetrachloroethane 63.01
    2-methyl-cyclohexyl acetate 21.1
    tetrabutyl urea 20.56
    diisobutyl methanol 8.5
    2-phenylethanol 26.4
    styrene 7.27
    dioctyl adipate 17.46
    dimethyl sulfate 70.03
    ethyl butyrate 16.85
    methyl lactate 43.46
    butyl lactate 22.09
    diethyl carbonate 15.53
    propanediol butyl ether 39.39
    triethyl orthoformate 17.67
    p-tert-butyltoluene 5.89
    methyl 4-tert-butylbenzoate 40.55
    morpholine 154.4
    tert-butylamine 31.51
    n-dodecanol 7.55
    dimethoxymethane 123.11
    ethylene carbonate 54.79
    cyrene 75.59
    2-ethoxyethyl acetate 30.83
    2-ethylhexyl acetate 13.12
    1,2,4-trichlorobenzene 27.76
    4-methylpyridine 66.03
    dibutyl ether 9.91
    2,6-dimethyl-4-heptanol 8.5
    DEF 75.61
    dimethyl isosorbide 76.54
    tetrachloroethylene 46.17
    eugenol 47.1
    triacetin 32.0
    span 80 35.52
    1,4-butanediol 43.65
    1,1-dichloroethane 26.16
    2-methyl-1-pentanol 22.46
    methyl formate 143.7
    2-methyl-1-butanol 31.92
    n-decane 1.56
    butyronitrile 34.76
    3,7-dimethyl-1-octanol 13.24
    1-chlorooctane 5.64
    1-chlorotetradecane 2.59
    n-nonane 1.35
    undecane 1.16
    tert-butylcyclohexane 1.31
    cyclooctane 1.52
    cyclopentanol 57.14
    tetrahydropyran 55.25
    tert-amyl methyl ether 29.13
    2,5,8-trioxanonane 87.42
    1-hexene 3.23
    2-isopropoxyethanol 56.33
    2,2,2-trifluoroethanol 110.92
    methyl butyrate 30.2

    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