ethyl phosphonothioic dichloride, anhydrous

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  • Identifiers

    CAS number
    993-43-1

    Molecular formula
    C2H5Cl2PS

    SMILES
    CCP(=S)(Cl)Cl

  • Odor profile

    Fragrance
    Odorless 48.81%
    Meaty 37.12%
    Sulfurous 36.65%
    Savory 32.12%
    Roasted 26.72%
    Cooked 24.57%
    Onion 23.83%
    Fresh 19.21%
    Cheesy 18.59%
    Alliaceous 18.4%

     

    Flavor
    Sulfurous 32.05%
    Odorless 28.02%
    Sulfury 24.39%
    Meaty 21.07%
    Onion 20.77%
    Cooked 19.94%
    Roasted 19.41%
    Mousy 19.28%
    Bland 18.91%
    Bloody 18.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.91 (neutral)

    Molecular weight
    163.01 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • less than -58 °F (USCG, 1999)

    Boiling point

    • 342 °F at 760 mmHg (USCG, 1999)

    Flash point

    • 65.36 ˚C est.
    • 203 °F (USCG, 1999)

  • Synonyms

    • Ethylphosphonothioic dichloride
    • 993-43-1
    • ethylphosphonothioyl dichloride
    • PHOSPHONOTHIOIC DICHLORIDE, ETHYL-
    • Phosphonothioic dichloride, P-ethyl-
    • X7NUN2K5DC
    • EINECS 213-609-3
    • dichloro-ethyl-sulfanylidene-lambda5-phosphane
    • ETHYLTHIOPHOSPHONIC DICHLORIDE
    • DTXSID6027347
    • ethylthiophosphonic acid dichloride
    • DICHLOROETHYLPHOSPHINE SULFIDE
    • ETHYLPHOSPHONOTHIONIC DICHLORIDE
    • ETHYLTHIONOPHOSPHONYL DICHLORIDE
    • ETHYL PHOSPHONOTHIOYL DICHLORIDE
    • ETHANETHIOPHOSPHONODICHLORIDIC ACID
    • ETHANEPHOSPHONOTHIONODICHLORIDIC ACID
    • Ethyl phosphonothioic dichloride, anhydrous
    • ETHYL PHOSPHONOTHIOIC DICHLORIDE, (ANHYDROUS)
    • ETHYL PHOSPHONOTHIOIC DICHLORIDE, [ANHYDROUS]
    • ETHYL PHOSPHONO THIOIC DICHLORIDE
    • ethyl phosphonothioic dichloride
    • UNII-X7NUN2K5DC
    • ETHYL THIONOPHOSPHORYL
    • ethanethiophosphonic dichloride
    • DTXCID307347
    • SCHEMBL1396268
    • ETHYL PHOSPHORODICHLORIDO-
    • Phosphonothioic dichloride, ethyl
    • ethylphosphonothioic acid dichloride
    • AAA99343
    • dichloro-ethyl-sulfanylidenephosphorane
    • AKOS006274330
    • NS00042151
    • EN300-204617
    • Ethyl phosphonothioic dichloride, anhydrous [NA2927] [Poison]
    • 213-609-3

  • Applications

    ethyl phosphonothioic dichloride, anhydrous (CAS 993-43-1) is primarily used as a reactive intermediate in organophosphorus synthesis. In industrial manufacturing it serves as a building block for phosphonothioate esters and related phosphorus-containing compounds, typically by reaction with alcohols or amines to form functionalized intermediates. It is employed in the preparation of specialty polymers and coatings where phosphorus-based groups impart flame retardancy or reactive functionality. It may be used in the synthesis of agrochemical and pharmaceutical intermediates, and as a reagent in ligands or catalysts for polymerization and electronic materials. It is handled under strictly controlled conditions due to its high reactivity and is used subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.47
    methanol 82.88
    isopropanol 69.19
    water 2.25
    ethyl acetate 114.83
    n-propanol 65.44
    acetone 268.26
    n-butanol 69.34
    acetonitrile 95.81
    DMF 650.11
    toluene 76.15
    isobutanol 51.99
    1,4-dioxane 246.35
    methyl acetate 152.94
    THF 349.67
    2-butanone 187.81
    n-pentanol 62.89
    sec-butanol 69.88
    n-hexane 7.25
    ethylene glycol 32.97
    NMP 512.96
    cyclohexane 16.62
    DMSO 410.17
    n-butyl acetate 118.16
    n-octanol 59.9
    chloroform 204.15
    n-propyl acetate 104.35
    acetic acid 113.53
    dichloromethane 160.19
    cyclohexanone 256.02
    propylene glycol 39.78
    isopropyl acetate 98.54
    DMAc 514.43
    2-ethoxyethanol 140.63
    isopentanol 63.06
    n-heptane 17.62
    ethyl formate 104.48
    1,2-dichloroethane 119.59
    n-hexanol 72.49
    2-methoxyethanol 200.58
    isobutyl acetate 76.9
    tetrachloromethane 48.14
    n-pentyl acetate 107.17
    transcutol 281.57
    n-heptanol 61.76
    ethylbenzene 47.74
    MIBK 110.43
    2-propoxyethanol 146.83
    tert-butanol 104.03
    MTBE 118.4
    2-butoxyethanol 111.56
    propionic acid 72.26
    o-xylene 75.18
    formic acid 58.53
    diethyl ether 98.51
    m-xylene 63.09
    p-xylene 67.05
    chlorobenzene 109.89
    dimethyl carbonate 97.43
    n-octane 10.41
    formamide 111.26
    cyclopentanone 334.14
    2-pentanone 152.61
    anisole 146.21
    cyclopentyl methyl ether 146.13
    gamma-butyrolactone 284.42
    1-methoxy-2-propanol 164.32
    pyridine 182.11
    3-pentanone 126.12
    furfural 353.42
    n-dodecane 9.67
    diethylene glycol 126.13
    diisopropyl ether 49.32
    tert-amyl alcohol 98.19
    acetylacetone 241.65
    n-hexadecane 10.91
    acetophenone 168.28
    methyl propionate 116.63
    isopentyl acetate 112.05
    trichloroethylene 255.03
    n-nonanol 58.52
    cyclohexanol 78.4
    benzyl alcohol 106.36
    2-ethylhexanol 63.31
    isooctanol 55.69
    dipropyl ether 86.16
    1,2-dichlorobenzene 123.14
    ethyl lactate 65.57
    propylene carbonate 176.31
    n-methylformamide 167.54
    2-pentanol 59.48
    n-pentane 11.32
    1-propoxy-2-propanol 126.71
    1-methoxy-2-propyl acetate 151.93
    2-(2-methoxypropoxy) propanol 135.79
    mesitylene 49.77
    ε-caprolactone 196.04
    p-cymene 59.82
    epichlorohydrin 253.72
    1,1,1-trichloroethane 143.18
    2-aminoethanol 49.52
    morpholine-4-carbaldehyde 455.87
    sulfolane 427.51
    2,2,4-trimethylpentane 11.73
    2-methyltetrahydrofuran 197.62
    n-hexyl acetate 111.92
    isooctane 9.13
    2-(2-butoxyethoxy)ethanol 151.29
    sec-butyl acetate 81.26
    tert-butyl acetate 135.12
    decalin 13.05
    glycerin 70.89
    diglyme 284.76
    acrylic acid 80.28
    isopropyl myristate 67.99
    n-butyric acid 92.14
    acetyl acetate 106.49
    di(2-ethylhexyl) phthalate 67.32
    ethyl propionate 83.03
    nitromethane 290.4
    1,2-diethoxyethane 147.09
    benzonitrile 126.19
    trioctyl phosphate 53.08
    1-bromopropane 67.92
    gamma-valerolactone 440.71
    n-decanol 48.24
    triethyl phosphate 72.26
    4-methyl-2-pentanol 46.45
    propionitrile 71.17
    vinylene carbonate 165.59
    1,1,2-trichlorotrifluoroethane 217.01
    DMS 107.91
    cumene 41.02
    2-octanol 55.14
    2-hexanone 125.2
    octyl acetate 78.86
    limonene 83.11
    1,2-dimethoxyethane 286.53
    ethyl orthosilicate 71.39
    tributyl phosphate 62.46
    diacetone alcohol 153.41
    N,N-dimethylaniline 130.32
    acrylonitrile 97.04
    aniline 97.43
    1,3-propanediol 77.87
    bromobenzene 110.04
    dibromomethane 100.75
    1,1,2,2-tetrachloroethane 213.43
    2-methyl-cyclohexyl acetate 109.86
    tetrabutyl urea 93.18
    diisobutyl methanol 53.06
    2-phenylethanol 110.47
    styrene 61.15
    dioctyl adipate 95.45
    dimethyl sulfate 199.28
    ethyl butyrate 104.09
    methyl lactate 91.55
    butyl lactate 87.54
    diethyl carbonate 73.12
    propanediol butyl ether 112.87
    triethyl orthoformate 89.49
    p-tert-butyltoluene 65.33
    methyl 4-tert-butylbenzoate 148.36
    morpholine 232.82
    tert-butylamine 62.36
    n-dodecanol 40.21
    dimethoxymethane 249.55
    ethylene carbonate 123.18
    cyrene 186.28
    2-ethoxyethyl acetate 146.04
    2-ethylhexyl acetate 100.99
    1,2,4-trichlorobenzene 167.92
    4-methylpyridine 213.61
    dibutyl ether 71.39
    2,6-dimethyl-4-heptanol 53.06
    DEF 203.11
    dimethyl isosorbide 250.01
    tetrachloroethylene 133.88
    eugenol 141.5
    triacetin 153.91
    span 80 122.9
    1,4-butanediol 45.63
    1,1-dichloroethane 120.11
    2-methyl-1-pentanol 61.57
    methyl formate 167.92
    2-methyl-1-butanol 58.26
    n-decane 14.58
    butyronitrile 81.66
    3,7-dimethyl-1-octanol 62.38
    1-chlorooctane 45.39
    1-chlorotetradecane 24.22
    n-nonane 13.09
    undecane 11.6
    tert-butylcyclohexane 13.06
    cyclooctane 9.07
    cyclopentanol 97.42
    tetrahydropyran 158.67
    tert-amyl methyl ether 108.37
    2,5,8-trioxanonane 220.64
    1-hexene 26.91
    2-isopropoxyethanol 111.19
    2,2,2-trifluoroethanol 74.4
    methyl butyrate 116.66

    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