demeton-S-methyl

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  • Identifiers

    CAS number
    919-86-8

    Molecular formula
    C6H15O3PS2

    SMILES
    CCSCCSP(=O)(OC)OC

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Sulfurous 78.21%
    Onion 59.1%
    Meaty 51.96%
    Roasted 47.09%
    Savory 45.67%
    Garlic 45.5%
    Alliaceous 41.79%
    Tropical 38.9%
    Cooked 38.48%
    Vegetable 36.99%

    Scent© AI

    Odor threshold

    • 1.0X10-2 mg/L (liqiuid) (detection in water, purity not specified)

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.07 (weak acid)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 192 °F at 0.15 mmHg (EPA, 1998)
    • 74 °C at 0.15 mm Hg; 92 °C at 0.2 mm Hg; 102 °C at 0.40 mm Hg
    • at 0.13kPa: 118 °C

    Flash point est.
    128.97 ˚C

    Solubility expt.

    • Sol in organic solvents
    • 600 g/kg dichloromethane at 20 °C; 600 g/kg propan-2-ol at 20 °C
    • Limited solubility in petroleum solvents. Readily soluble in most organic solvents (e.g. dischloromethane, propanol, toluene)
    • Readily sol in common polar organic solvents (eg, alcohols, ketones, chlorinated hydrocarbons), ca. 200 g/L in dichloromethane, isopropanol, toluene
    • For more Solubility (Complete) data for DEMETON-S-METHYL (6 total), please visit the HSDB record page.
    • Solubility in water, g/100ml at 20 °C: 0.33

  • Synonyms

    • DEMETON-S-METHYL
    • 919-86-8
    • Metaisoseptox
    • Metaisosystox
    • Metasystox 55
    • Duratox
    • Mifatox
    • Thiometon oxon
    • Metasystox J
    • Methyl isosystox
    • Demetox
    • Methyl demeton thioester
    • Metasystox I
    • Demeton-S-metile
    • Metasystox (I)
    • Methyl thionodemeton
    • Bayer 25/154
    • Methylthionodemeton
    • Bayer 18 436
    • O,O-Dimethyl S-ethylmercaptoethyl thiophosphate
    • Demeton-S-metile [Italian]
    • Methylmercaptofostiol (USSR)
    • BAY 18436
    • CCRIS 5215
    • Persyst
    • meta-Isosystox
    • HSDB 6410
    • Dimethyl S-(2-eththioethyl)thiophosphate
    • UNII-HU8BO5S9WK
    • Demeton-S-methyl [ISO]
    • HU8BO5S9WK
    • Methyl-mercaptofos teolovy (USSR)
    • Phosphorothioic acid, S-[2-(ethylthio)ethyl] O,O-dimethyl ester
    • O,O-Dimethyl S-(2-(ethylthio)ethyl)phosphorothioate
    • Demetone-S-methyl
    • EINECS 213-052-6
    • Power DSM
    • Methylmercaptofostiol
    • Demeton-S-methyl [BSI:ISO]
    • Demeton-S-methyl [ISO:BSI]
    • O,O-Dimethyl S-(2-eththioethyl)phosphorothioate
    • BRN 1707311
    • DEP 836 349
    • S-(2-(Ethylthio)ethyl) dimethyl phosphorothiolate
    • 2-Ethylthioethyl dimethyl phosphorothioate
    • S-(2-(Ethylthio)ethyl) O,O-dimethyl thiophosphate
    • CHEBI:38624
    • AI3-24963
    • S-(2-(Ethylthio)ethyl) O,O-dimethyl phosphorothioate
    • USP 2 571 989
    • Demeton-S-methyl sulfide
    • Methyl-mercaptofos teolery
    • O,O-Dimethyl 2-ethylmercaptoethyl thiophosphate, thiolo isomer
    • O,O-Dimetil-S-(2-etiltio-etil)-monotiofosfato
    • O,O-Dimethyl-S-(3-thia-pentyl)-monothiophosphat
    • Phosphorothioic acid, O,O-dimethyl S-(2-(ethylthio)ethyl) ester
    • 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane
    • O,O-Dimethyl-S-(2-ethylthio-ethyl)-monothiofosfaat
    • Ethanethiol, 2-(ethylthio)-, S-ester with O,O-dimethyl phosphorothioate
    • O,O-Dimethyl-S-(2-aethylthio-aethyl)-monothiophosphat
    • DEMETON-S-METHYL [MI]
    • O,O-Dimethyl-S-(3-thia-pentyl)-monothiophosphat [German]
    • O,O-Dimetil-S-(2-etiltio-etil)-monotiofosfato [Italian]
    • Thiophosphate de O,O-dimethyle et de S-2-ethylthio-ethyle
    • O,O-Dimethyl-S-(2-ethylthio-ethyl)-monothiofosfaat [Dutch]
    • DEMETON-S-METHYL [HSDB]
    • DTXSID5037521
    • O,O-Dimethyl-S-(2-aethylthio-aethyl)-monothiophosphat [German]
    • Phosphorothioic acid, S-(2-(ethylthio)ethyl) O,O-dimethyl ester
    • Thiophosphate de O,O-dimethyle et de S-2-ethylthio-ethyle [French]
    • 4-01-00-02461 (Beilstein Handbook Reference)
    • BAY-18436
    • dimethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonate
    • S-[2-(Ethylsulfanyl)ethyl] o,o-dimethyl thiophosphate
    • S-[2-(Ethylthio)ethyl] O,O-dimethyl phosphorothioate
    • S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl phosphorothioate
    • O,O-Dimethyl S-2-(ethylthio)ethyl phosphorothioate
    • S-[2-(Ethylthio)ethyl] O,O-dimethyl thiophosphate
    • S-[2-(Ethylthio)ethyl] O,O-dimethyl phophorothioate
    • Isometasystox
    • S-(2-(ethylsulfanyl)ethyl) O,O-dimethyl thiophosphate
    • S-(2-(Ethylthio)ethyl) O,O-dimethyl phophorothioate
    • O,O-Dimethyl-S-(2-ethylthio-ethyl)-monothiofosfaat (Dutch)
    • O,O-Dimethyl-S-(3-thia-pentyl)-monothiophosphat (German)
    • O,O-Dimetil-S-(2-etiltio-etil)-monotiofosfato (Italian)
    • S-(2-(ethylsulfanyl)ethyl) O,O-dimethyl phosphorothioate
    • Isomethylsystox
    • DemetonSmethyl
    • DemetonSmetile
    • O,O-Dimethyl-S-(2-aethylthio-aethyl)-monothiophosphat (German)
    • Metasytox thiol
    • Thiophosphate de O,O-dimethyle et de S-2-ethylthio-ethyle (French)
    • METASYSTOX(I)
    • METHYL-S-DEMETON
    • S-2-ethylthioethyl-O,O-dimethylphosphorothiolate
    • SCHEMBL73358
    • S-(2-Ethylthioethyl) O,O-dimethyl phosphorothioate
    • CHEMBL1898805
    • DTXCID3017521
    • METHYL-MERCAPTOFOS TEOLOVY
    • Methylmercaptofos teolovy (USSR)
    • Demeton-S-methyl, analytical standard
    • AKOS015902495
    • Dimethyl S(2eththioethyl)thiophosphate
    • O,ODimetilS(2etiltioetil)monotiofosfato
    • 2Ethylthioethyl dimethyl phosphorothioate
    • NCGC00163787-01
    • O,ODimethylS(3thiapentyl)monothiophosphat
    • O,ODimethylS(2ethylthioethyl)monothiofosfaat
    • NS00000119
    • O,ODimethyl S(2eththioethyl)phosphorothioate
    • O,ODimethyl Sethylmercaptoethyl thiophosphate
    • Demeton-S-methyl 1000 microg/mL in Acetone
    • C18655
    • G90984
    • O,ODimethylS(2aethylthioaethyl)monothiophosphat
    • S(2(Ethylthio)ethyl) dimethyl phosphorothiolate
    • S(2(Ethylthio)ethyl) O,Odimethyl thiophosphate
    • Demeton-S-methyl 100 microg/mL in Acetonitrile
    • O,ODimethyl S(2(ethylthio)ethyl)phosphorothioate
    • DIMETHYL S-(2-ETHTHIOETHYL) THIOPHOSPHATE
    • O,O-dimethyl S-[2-(ethylthio)ethyl]thiophosphate
    • S(2(Ethylthio)ethyl) O,Odimethyl phosphorothioate
    • Q1865134
    • Thiophosphate de O,Odimethyle et de S2ethylthioethyle
    • O,O-DIMETHYL S-(2-ETHTHIOETHYL) PHOSPHOROTHIOATE
    • O,O-DIMETHYL S-(ETHYLMERCAPTO)ETHYL THIOPHOSPHATE
    • S-[2-(Ethylsulfanyl)ethyl] O,O-dimethyl thiophosphate #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 370.4
    methanol 582.72
    isopropanol 217.14
    water 10.16
    ethyl acetate 183.34
    n-propanol 285.11
    acetone 291.08
    n-butanol 226.79
    acetonitrile 174.85
    DMF 987.9
    toluene 76.33
    isobutanol 178.53
    1,4-dioxane 419.98
    methyl acetate 238.08
    THF 574.77
    2-butanone 238.07
    n-pentanol 183.93
    sec-butanol 225.32
    n-hexane 9.3
    ethylene glycol 185.92
    NMP 966.8
    cyclohexane 36.64
    DMSO 1065.82
    n-butyl acetate 197.67
    n-octanol 100.74
    chloroform 767.97
    n-propyl acetate 181.62
    acetic acid 837.73
    dichloromethane 563.2
    cyclohexanone 468.48
    propylene glycol 216.05
    isopropyl acetate 143.46
    DMAc 653.08
    2-ethoxyethanol 481.71
    isopentanol 186.03
    n-heptane 13.62
    ethyl formate 236.62
    1,2-dichloroethane 353.29
    n-hexanol 164.26
    2-methoxyethanol 683.18
    isobutyl acetate 107.37
    tetrachloromethane 129.07
    n-pentyl acetate 194.44
    transcutol 915.16
    n-heptanol 122.78
    ethylbenzene 49.8
    MIBK 135.19
    2-propoxyethanol 338.38
    tert-butanol 293.12
    MTBE 192.18
    2-butoxyethanol 278.81
    propionic acid 344.24
    o-xylene 81.95
    formic acid 719.53
    diethyl ether 162.85
    m-xylene 60.35
    p-xylene 60.63
    chlorobenzene 174.87
    dimethyl carbonate 127.45
    n-octane 7.04
    formamide 940.76
    cyclopentanone 517.16
    2-pentanone 195.12
    anisole 170.32
    cyclopentyl methyl ether 253.92
    gamma-butyrolactone 605.56
    1-methoxy-2-propanol 404.24
    pyridine 357.78
    3-pentanone 150.57
    furfural 777.41
    n-dodecane 5.83
    diethylene glycol 347.21
    diisopropyl ether 53.46
    tert-amyl alcohol 292.45
    acetylacetone 254.99
    n-hexadecane 6.6
    acetophenone 221.13
    methyl propionate 184.22
    isopentyl acetate 186.39
    trichloroethylene 899.83
    n-nonanol 91.78
    cyclohexanol 261.62
    benzyl alcohol 202.72
    2-ethylhexanol 113.75
    isooctanol 100.13
    dipropyl ether 87.93
    1,2-dichlorobenzene 217.83
    ethyl lactate 137.82
    propylene carbonate 357.74
    n-methylformamide 562.46
    2-pentanol 153.55
    n-pentane 16.06
    1-propoxy-2-propanol 237.21
    1-methoxy-2-propyl acetate 239.29
    2-(2-methoxypropoxy) propanol 230.33
    mesitylene 49.32
    ε-caprolactone 449.44
    p-cymene 62.53
    epichlorohydrin 652.13
    1,1,1-trichloroethane 301.82
    2-aminoethanol 347.92
    morpholine-4-carbaldehyde 846.68
    sulfolane 977.15
    2,2,4-trimethylpentane 15.86
    2-methyltetrahydrofuran 393.51
    n-hexyl acetate 214.01
    isooctane 9.54
    2-(2-butoxyethoxy)ethanol 321.13
    sec-butyl acetate 121.41
    tert-butyl acetate 203.45
    decalin 17.05
    glycerin 378.89
    diglyme 616.41
    acrylic acid 411.46
    isopropyl myristate 72.03
    n-butyric acid 394.6
    acetyl acetate 173.69
    di(2-ethylhexyl) phthalate 107.06
    ethyl propionate 121.05
    nitromethane 1057.95
    1,2-diethoxyethane 221.13
    benzonitrile 223.41
    trioctyl phosphate 75.45
    1-bromopropane 136.48
    gamma-valerolactone 869.62
    n-decanol 64.09
    triethyl phosphate 103.11
    4-methyl-2-pentanol 90.22
    propionitrile 153.16
    vinylene carbonate 396.72
    1,1,2-trichlorotrifluoroethane 851.06
    DMS 162.73
    cumene 42.3
    2-octanol 85.92
    2-hexanone 163.15
    octyl acetate 103.33
    limonene 98.39
    1,2-dimethoxyethane 496.07
    ethyl orthosilicate 106.24
    tributyl phosphate 90.8
    diacetone alcohol 273.75
    N,N-dimethylaniline 148.9
    acrylonitrile 246.77
    aniline 188.49
    1,3-propanediol 368.14
    bromobenzene 152.79
    dibromomethane 335.26
    1,1,2,2-tetrachloroethane 790.24
    2-methyl-cyclohexyl acetate 171.55
    tetrabutyl urea 125.35
    diisobutyl methanol 75.34
    2-phenylethanol 185.37
    styrene 67.39
    dioctyl adipate 123.53
    dimethyl sulfate 281.56
    ethyl butyrate 145.14
    methyl lactate 185.45
    butyl lactate 195.09
    diethyl carbonate 115.7
    propanediol butyl ether 283.95
    triethyl orthoformate 137.52
    p-tert-butyltoluene 64.53
    methyl 4-tert-butylbenzoate 231.75
    morpholine 591.34
    tert-butylamine 169.59
    n-dodecanol 46.12
    dimethoxymethane 354.12
    ethylene carbonate 292.95
    cyrene 310.45
    2-ethoxyethyl acetate 284.34
    2-ethylhexyl acetate 155.66
    1,2,4-trichlorobenzene 294.49
    4-methylpyridine 325.76
    dibutyl ether 78.55
    2,6-dimethyl-4-heptanol 75.34
    DEF 346.88
    dimethyl isosorbide 363.8
    tetrachloroethylene 539.38
    eugenol 248.01
    triacetin 256.55
    span 80 241.74
    1,4-butanediol 187.43
    1,1-dichloroethane 256.23
    2-methyl-1-pentanol 166.18
    methyl formate 382.12
    2-methyl-1-butanol 190.98
    n-decane 10.33
    butyronitrile 152.83
    3,7-dimethyl-1-octanol 100.34
    1-chlorooctane 56.65
    1-chlorotetradecane 20.44
    n-nonane 9.25
    undecane 7.34
    tert-butylcyclohexane 15.49
    cyclooctane 13.27
    cyclopentanol 265.89
    tetrahydropyran 319.33
    tert-amyl methyl ether 171.01
    2,5,8-trioxanonane 385.59
    1-hexene 39.35
    2-isopropoxyethanol 295.33
    2,2,2-trifluoroethanol 408.34
    methyl butyrate 192.57

    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