O,O-Diethyl chlorothiophosphate

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  • Identifiers

    CAS number
    2524-04-1

    Molecular formula
    C4H10ClO2PS

    SMILES
    CCOP(=S)(OCC)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 45.81%
    Odorless 35.63%
    Meaty 34.63%
    Roasted 29.29%
    Fruity 28.48%
    Fresh 28.22%
    Onion 27.15%
    Savory 26.82%
    Tropical 23.71%
    Cooked 21.7%

     

    Flavor
    Sulfury 33.56%
    Sulfurous 33.37%
    Fruity 32.9%
    Onion 28.81%
    Cabbage 25.59%
    Vegetable 25.11%
    Odorless 24.85%
    Cooked 24.54%
    Cheese 24.47%
    Meaty 24.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    4.66 (weak acid)

    Molecular weight
    188.61 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 49 °C BELOW 1 MM HG; FP: BELOW -75 °C
    • >110 °C

    Flash point

    • 66.39 ˚C est.
    • 92 °C c.c.

    Solubility expt.

    • INSOL IN WATER; SOL IN MOST ORG SOLVENTS
    • Solubility in water: reaction

  • Synonyms

    • Diethyl chlorothiophosphate
    • 2524-04-1
    • O,O-Diethyl chlorothiophosphate
    • Diethoxythiophosphoryl chloride
    • Ethyl PCT
    • Diethyl phosphorochlorothioate
    • Diethylchlorthiofosfat
    • Diethyl phosphorochloridothionate
    • Diethyl phosphorothiochloridate
    • Diethyl thiophosphoric chloride
    • Diethyl phosphorochloridothioate
    • O,O-Diethyl phosphorochloridothioate
    • Diethyl phosphorothionochloridate
    • Phosphorochloridothioic acid, O,O-diethyl ester
    • O,O-Diethyl chloridothionophosphate
    • O,O-Diethyl thiophosphoryl chloride
    • Diethylchlorothiophosphate
    • O,O-Diethyl thionophosphoric chloride
    • O,O-Diethyl chlorothionophosphate
    • Diethylthiophosphoric acid chloride
    • O,O-Diethyl phosphorochlorothioate
    • O,O-Diethyl phosphorothiochloridate
    • O,O-Diethyl chloridophosphorothioate
    • O,O-Diethyl phosphorothionochloridate
    • O,O-Diethyl thionophosphorochloridate
    • O,O-Diethyl thionophosphoryl chloride
    • Diethyl thiophosphoryl chloride
    • O,O-DIETHYL CHLOROTHIOPHOSPHONATE
    • O,O-Diethylthiophosphorochloridate
    • Diethylchlorthiofosfat [Czech]
    • CCRIS 2610
    • DTXSID5027487
    • HSDB 2627
    • O,O-Diethylphosphorochloridothioate
    • EINECS 219-755-4
    • NSC 43776
    • NSC-43776
    • O,O-Diethyl thionophosphoric acid ester chloride
    • BRN 0471434
    • UNII-A310QMF5Q0
    • O,O-Diethyl thiophosphoric acid chloride
    • A310QMF5Q0
    • DTXCID707487
    • O,O-Diethylchlorothiophosphidate
    • O,O-Diethylester kyseliny chlorthiofosforecne
    • O,O'-Diethyl chlorothiophosphate
    • chloro-diethoxy-sulfanylidene-lambda5-phosphane
    • Phosphonothioic acid, chloro-, O,O-diethyl ester
    • O,O-Diethyl thiophosphorochloridate
    • UN 2751
    • (CHLORODIETHOXY)PHOSPHINE SULFIDE
    • EC 219-755-4
    • O,O-DIETHYL CHLOROTHIOPHOSPHONATE [HSDB]
    • 4-01-00-01352 (Beilstein Handbook Reference)
    • ETHYL PHOSPHOROCHLORIDOTHIOATE ((ETO)2CLPS)
    • DIETHYLCHLORTHIOFOSFAT (CZECH)
    • UN2751
    • DECTP
    • P(S)(OEt)2Cl
    • WLN: 2OPS&GO2
    • WLN: SPGO2&O2
    • O,O-Diethylester kyseliny chlorthiofosforecne [Czech]
    • SCHEMBL1149901
    • CHEMBL3184078
    • O,O?-Diethyl chlorothiophosphate
    • O,O-diethyl chlorophosphonothioate
    • NSC43776
    • O,O-Diethyl chloridothiophosphate #
    • Tox21_200977
    • MFCD00009088
    • AKOS015915079
    • FD61056
    • O,O'-Diethyl chlorothiophosphate, 97%
    • NCGC00248890-01
    • NCGC00258530-01
    • O,O-DIETHYL CHLOROPHOSPHOROTHIOATE
    • CAS-2524-04-1
    • DB-046650
    • DB-297175
    • Phosphorochloridothioic acid,O-diethyl ester
    • NS00006361
    • Phosphorochloridothioic acid O,O-diethyl ester
    • D97728
    • EN300-247255
    • Q1223252
    • Diethylthiophosphoryl chloride [UN2751] [Corrosive]
    • Diethyl phosphorochloridothionate 100 microg/mL in Acetonitrile
    • 219-755-4
    • O,O'-Diethyl Phosphorochloridothioate;O,O'-Diethyl Phosphorothiochloridate;O,O'-Diethylthiophosphoryl Chloride

  • Applications

    O,O-Diethyl chlorothiophosphate (CAS 2524-04-1) is a reactive intermediate in the synthesis of organophosphate esters, notably enabling substitution of the chloride with phenoxide or alkoxide to yield diethyl phosphorothioate esters such as parathion and related aryl phosphorothioates; it is used in agrochemical research and manufacturing as a building block for phosphorus-containing esters and for the preparation of other phosphorothioate derivatives in process development; it can serve as a starting reagent in laboratory-scale synthesis of phosphorus chemistry and in industrial production for related compounds, subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.67
    methanol 306.77
    isopropanol 179.69
    water 7.68
    ethyl acetate 350.59
    n-propanol 186.79
    acetone 613.09
    n-butanol 172.7
    acetonitrile 440.59
    DMF 1498.22
    toluene 246.84
    isobutanol 143.59
    1,4-dioxane 661.88
    methyl acetate 403.89
    THF 819.69
    2-butanone 432.75
    n-pentanol 150.97
    sec-butanol 176.3
    n-hexane 51.87
    ethylene glycol 135.37
    NMP 1393.83
    cyclohexane 147.45
    DMSO 1340.47
    n-butyl acetate 275.26
    n-octanol 142.53
    chloroform 1117.78
    n-propyl acetate 267.33
    acetic acid 415.59
    dichloromethane 1059.34
    cyclohexanone 738.24
    propylene glycol 129.89
    isopropyl acetate 231.82
    DMAc 1051.76
    2-ethoxyethanol 305.21
    isopentanol 137.83
    n-heptane 68.42
    ethyl formate 349.66
    1,2-dichloroethane 715.94
    n-hexanol 155.85
    2-methoxyethanol 483.99
    isobutyl acetate 171.03
    tetrachloromethane 259.81
    n-pentyl acetate 244.66
    transcutol 411.69
    n-heptanol 114.96
    ethylbenzene 154.46
    MIBK 215.75
    2-propoxyethanol 305.37
    tert-butanol 221.58
    MTBE 264.47
    2-butoxyethanol 194.46
    propionic acid 237.59
    o-xylene 217.79
    formic acid 183.21
    diethyl ether 304.95
    m-xylene 184.06
    p-xylene 208.6
    chlorobenzene 425.02
    dimethyl carbonate 251.51
    n-octane 40.82
    formamide 314.0
    cyclopentanone 833.09
    2-pentanone 355.23
    anisole 329.1
    cyclopentyl methyl ether 391.1
    gamma-butyrolactone 917.04
    1-methoxy-2-propanol 350.59
    pyridine 582.7
    3-pentanone 366.0
    furfural 1092.64
    n-dodecane 37.58
    diethylene glycol 295.92
    diisopropyl ether 121.01
    tert-amyl alcohol 204.39
    acetylacetone 520.09
    n-hexadecane 42.44
    acetophenone 375.22
    methyl propionate 339.7
    isopentyl acetate 222.88
    trichloroethylene 1149.95
    n-nonanol 132.18
    cyclohexanol 255.55
    benzyl alcohol 265.99
    2-ethylhexanol 136.46
    isooctanol 99.63
    dipropyl ether 218.57
    1,2-dichlorobenzene 467.3
    ethyl lactate 168.9
    propylene carbonate 512.2
    n-methylformamide 529.14
    2-pentanol 131.88
    n-pentane 62.94
    1-propoxy-2-propanol 247.73
    1-methoxy-2-propyl acetate 279.15
    2-(2-methoxypropoxy) propanol 221.62
    mesitylene 150.0
    ε-caprolactone 575.08
    p-cymene 140.09
    epichlorohydrin 833.34
    1,1,1-trichloroethane 668.08
    2-aminoethanol 165.27
    morpholine-4-carbaldehyde 1083.98
    sulfolane 1350.7
    2,2,4-trimethylpentane 40.84
    2-methyltetrahydrofuran 526.75
    n-hexyl acetate 281.48
    isooctane 27.78
    2-(2-butoxyethoxy)ethanol 246.61
    sec-butyl acetate 178.36
    tert-butyl acetate 257.21
    decalin 69.01
    glycerin 213.25
    diglyme 512.81
    acrylic acid 278.82
    isopropyl myristate 151.72
    n-butyric acid 269.45
    acetyl acetate 305.04
    di(2-ethylhexyl) phthalate 152.66
    ethyl propionate 257.66
    nitromethane 975.61
    1,2-diethoxyethane 300.61
    benzonitrile 416.8
    trioctyl phosphate 120.9
    1-bromopropane 362.9
    gamma-valerolactone 1084.68
    n-decanol 108.8
    triethyl phosphate 180.24
    4-methyl-2-pentanol 83.51
    propionitrile 307.65
    vinylene carbonate 560.59
    1,1,2-trichlorotrifluoroethane 715.48
    DMS 281.03
    cumene 116.24
    2-octanol 109.66
    2-hexanone 281.77
    octyl acetate 183.96
    limonene 214.93
    1,2-dimethoxyethane 634.16
    ethyl orthosilicate 170.0
    tributyl phosphate 144.32
    diacetone alcohol 262.05
    N,N-dimethylaniline 273.02
    acrylonitrile 428.14
    aniline 274.92
    1,3-propanediol 207.26
    bromobenzene 460.03
    dibromomethane 714.58
    1,1,2,2-tetrachloroethane 1017.94
    2-methyl-cyclohexyl acetate 241.81
    tetrabutyl urea 226.96
    diisobutyl methanol 106.41
    2-phenylethanol 235.38
    styrene 209.16
    dioctyl adipate 214.17
    dimethyl sulfate 507.23
    ethyl butyrate 256.88
    methyl lactate 229.66
    butyl lactate 188.23
    diethyl carbonate 201.07
    propanediol butyl ether 188.59
    triethyl orthoformate 208.96
    p-tert-butyltoluene 149.43
    methyl 4-tert-butylbenzoate 300.72
    morpholine 611.05
    tert-butylamine 155.61
    n-dodecanol 94.47
    dimethoxymethane 629.76
    ethylene carbonate 446.16
    cyrene 343.46
    2-ethoxyethyl acetate 297.88
    2-ethylhexyl acetate 212.23
    1,2,4-trichlorobenzene 566.95
    4-methylpyridine 591.12
    dibutyl ether 186.78
    2,6-dimethyl-4-heptanol 106.41
    DEF 547.7
    dimethyl isosorbide 457.69
    tetrachloroethylene 633.76
    eugenol 290.78
    triacetin 317.18
    span 80 225.48
    1,4-butanediol 129.46
    1,1-dichloroethane 593.17
    2-methyl-1-pentanol 128.91
    methyl formate 495.41
    2-methyl-1-butanol 137.75
    n-decane 54.04
    butyronitrile 311.91
    3,7-dimethyl-1-octanol 131.64
    1-chlorooctane 159.29
    1-chlorotetradecane 83.38
    n-nonane 52.36
    undecane 43.62
    tert-butylcyclohexane 55.1
    cyclooctane 56.41
    cyclopentanol 298.09
    tetrahydropyran 472.79
    tert-amyl methyl ether 249.92
    2,5,8-trioxanonane 385.66
    1-hexene 119.64
    2-isopropoxyethanol 209.23
    2,2,2-trifluoroethanol 231.53
    methyl butyrate 325.72

    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