Soman

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  • Identifiers

    CAS number
    96-64-0

    Molecular formula
    C7H16FO2P

    SMILES
    CC(C(C)(C)C)OP(=O)(C)F

  • Odor profile

    Fragrance
    Fruity 30.64%
    Mint 29.26%
    Odorless 28.94%
    Herbal 26.3%
    Woody 24.47%
    Fresh 23.33%
    Green 22.38%
    Dry 21.92%
    Floral 21.89%
    Cooling 21.07%

     

    Flavor
    Green 34.35%
    Tropical 22.42%
    Sulfurous 22.14%
    Fruity 20.74%
    Woody 20.44%
    Box tree 20.39%
    Pungent 20.28%
    Cat-urine 20.26%
    Stinky 19.89%
    Catty 19.86%

     

    Odor impact est.
    Medium

    Odor threshold

    • About 50% of 34 subjects (22 male and 12 female laboratory workers) detected the odor of soman in concentrations of 3.3-7.0 mg/cu m and described it as sweet, fruity or nutty. About 65% of the subjects had mild nasal and airway symptoms from the agent.
    • Although soman has a camphor or fruity odor, the odor may not be noticeable enough to give people sufficient warning against a toxic exposure.

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.79 (neutral)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -42 °C

    Boiling point

    • 198 °C

    Flash point

    • 74.96 ˚C est.

    Solubility expt.

    • In water, 2.1X10+4 mg/L at 20 °C
    • Miscible with both polar and nonpolar solvents

  • Synonyms

    • SOMAN
    • Zoman
    • PMFP
    • Pinacolyl methylphosphonofluoridate
    • 96-64-0
    • Pinacolyl methylfluorophosphonate
    • Pinacoloxymethylphosphoryl fluoride
    • Methyl pinacolyl phosphonofluoridate
    • Methyl pinacolyloxy phosphorylfluoride
    • CCRIS 3417
    • 1,2,2-Trimethylpropyl methylphosphonofluoridate
    • Pinacolyl methylphosphonofluoride
    • Pynacolyl methylfluorophosphonate
    • HSDB 6764
    • 3,3-Dimethyl-n-but-2-yl methylphosphonofluoridate
    • Phosphonofluoridic acid, methyl-, 1,2,2-trimethylpropyl ester
    • UNII-3OF3WXB67Q
    • 3OF3WXB67Q
    • Pinacolyloxy methylphosphoryl fluoride
    • EA 1210
    • BRN 1928737
    • Phosphine oxide, fluoromethyl(1,2,2-trimethylpropoxy)-
    • Methylphosphonofluoridate, Pinacolyl
    • Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester
    • Methylfluorphosphorsaeurepinakolylester [German]
    • O-Pinacolyl methylphosphonofluoridate
    • Methylfluorphosphorsaeurepinakolylester
    • T.2107
    • SOMAN [MI]
    • 1-Methyl-2,2-dimethylpropylmethylphosphonofluoridate
    • 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
    • Gd (chemical warfare agent)
    • 2-Butanol, 3,3-dimethyl-, methylphosphonofluoridate
    • CHEMBL15910
    • CHEBI:9195
    • Methylphosphonofluoridic acid, 3,3-dimethyl-2-butyl ester
    • DTXSID2031906
    • 1,2,2-Trimethylpropylester kyseliny methylfluorfosfonove [Czech]
    • 1,2,2-Trimethylpropylester kyseliny methylfluorfosfonove
    • 1,2,2-Trimethylpropoxyfluorophosphine oxide
    • 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethyl-butane
    • PHOSPHONOFLUORIDIC ACID, P-METHYL-, 1,2,2-TRIMETHYLPROPYL ESTER
    • Methylfluorphosphorsaeurepinakolylester (German)
    • 3-(fluoro(methyl)phosphoryl)oxy-2,2-dimethyl-butane
    • 1,2,2-Trimethylpropylester kyseliny methylfluorfosfonove (Czech)
    • Agent GD
    • SOMAN.
    • Lethal Nerve Agent (GD)
    • 3,3-dimethylbutan-2-yl methylphosphonofluoridate
    • SCHEMBL59654
    • (R)-Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester
    • G-SERIES NERVE AGENT GD
    • DTXCID0011906
    • BDBM50292572
    • AKOS006273455
    • 3,3Dimethyl2butyl methylphosphonofluoridate
    • 3,3Dimethylnbut2yl methylphosphonofluoridate
    • NS00076227
    • 1,2,2Trimethylpropyl methylphosphonofluoridate
    • C07494
    • 1Methyl2,2dimethylpropylmethylphosphonofluoridate
    • 2Butanol, 3,3dimethyl, methylphosphonofluoridate
    • 1,2,2-Trimethylpropyl methylphosphonofluoridoate #
    • Q408044
    • Methylphosphonofluoridic acid, 3,3dimethyl2butyl ester
    • Phosphine oxide, fluoromethyl(1,2,2trimethylpropoxy)
    • 1,2,2Trimethylpropylester kyseliny methylfluorfosfonove
    • Methylphosphonofluoridic acid 1,2,2trimethylpropyl ester
    • Phosphonofluoridic acid, methyl, 1,2,2trimethylpropyl ester

  • Applications

    Soman (CAS 96-64-0) is a highly toxic organophosphate nerve agent with no legitimate industrial applications; production, possession, and use are strictly regulated under the Chemical Weapons Convention (CWC). There are no standard applications in perfumery, flavor, cosmetics, household products, or industrial manufacturing. Any discussion of practical uses is inappropriate outside of authorized military or defensive research and safety contexts, and handling would be governed by strict regulatory controls and decontamination considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 421.95
    methanol 664.8
    isopropanol 447.82
    water 71.39
    ethyl acetate 128.7
    n-propanol 383.23
    acetone 293.08
    n-butanol 293.78
    acetonitrile 209.47
    DMF 510.79
    toluene 106.14
    isobutanol 265.07
    1,4-dioxane 285.15
    methyl acetate 163.87
    THF 461.84
    2-butanone 218.76
    n-pentanol 191.93
    sec-butanol 330.77
    n-hexane 42.31
    ethylene glycol 266.26
    NMP 291.19
    cyclohexane 48.28
    DMSO 373.11
    n-butyl acetate 101.6
    n-octanol 171.79
    chloroform 508.55
    n-propyl acetate 77.87
    acetic acid 160.6
    dichloromethane 337.32
    cyclohexanone 248.21
    propylene glycol 335.62
    isopropyl acetate 101.8
    DMAc 319.24
    2-ethoxyethanol 243.47
    isopentanol 205.26
    n-heptane 35.59
    ethyl formate 139.49
    1,2-dichloroethane 209.94
    n-hexanol 282.57
    2-methoxyethanol 495.71
    isobutyl acetate 58.28
    tetrachloromethane 106.31
    n-pentyl acetate 94.63
    transcutol 282.31
    n-heptanol 157.59
    ethylbenzene 75.66
    MIBK 127.97
    2-propoxyethanol 386.57
    tert-butanol 427.93
    MTBE 193.28
    2-butoxyethanol 209.75
    propionic acid 188.8
    o-xylene 96.48
    formic acid 166.78
    diethyl ether 175.1
    m-xylene 100.28
    p-xylene 89.56
    chlorobenzene 114.81
    dimethyl carbonate 75.78
    n-octane 20.75
    formamide 161.56
    cyclopentanone 308.47
    2-pentanone 181.46
    anisole 141.31
    cyclopentyl methyl ether 200.39
    gamma-butyrolactone 264.35
    1-methoxy-2-propanol 425.45
    pyridine 179.6
    3-pentanone 136.5
    furfural 280.94
    n-dodecane 17.44
    diethylene glycol 365.99
    diisopropyl ether 68.06
    tert-amyl alcohol 295.08
    acetylacetone 178.68
    n-hexadecane 18.7
    acetophenone 125.64
    methyl propionate 136.05
    isopentyl acetate 99.55
    trichloroethylene 334.75
    n-nonanol 143.17
    cyclohexanol 239.01
    benzyl alcohol 146.67
    2-ethylhexanol 126.44
    isooctanol 112.98
    dipropyl ether 93.98
    1,2-dichlorobenzene 117.08
    ethyl lactate 99.26
    propylene carbonate 150.42
    n-methylformamide 292.92
    2-pentanol 219.01
    n-pentane 56.73
    1-propoxy-2-propanol 238.64
    1-methoxy-2-propyl acetate 136.73
    2-(2-methoxypropoxy) propanol 163.29
    mesitylene 74.34
    ε-caprolactone 190.43
    p-cymene 63.94
    epichlorohydrin 299.08
    1,1,1-trichloroethane 208.86
    2-aminoethanol 383.72
    morpholine-4-carbaldehyde 319.89
    sulfolane 320.12
    2,2,4-trimethylpentane 25.09
    2-methyltetrahydrofuran 258.99
    n-hexyl acetate 152.34
    isooctane 20.99
    2-(2-butoxyethoxy)ethanol 206.49
    sec-butyl acetate 60.65
    tert-butyl acetate 127.03
    decalin 25.56
    glycerin 392.05
    diglyme 287.53
    acrylic acid 162.5
    isopropyl myristate 66.88
    n-butyric acid 183.07
    acetyl acetate 85.51
    di(2-ethylhexyl) phthalate 73.24
    ethyl propionate 82.32
    nitromethane 224.2
    1,2-diethoxyethane 101.52
    benzonitrile 145.6
    trioctyl phosphate 67.93
    1-bromopropane 170.78
    gamma-valerolactone 353.83
    n-decanol 108.78
    triethyl phosphate 56.44
    4-methyl-2-pentanol 132.79
    propionitrile 207.4
    vinylene carbonate 136.35
    1,1,2-trichlorotrifluoroethane 298.12
    DMS 93.02
    cumene 62.44
    2-octanol 121.45
    2-hexanone 108.82
    octyl acetate 89.24
    limonene 78.45
    1,2-dimethoxyethane 292.3
    ethyl orthosilicate 58.48
    tributyl phosphate 61.6
    diacetone alcohol 200.69
    N,N-dimethylaniline 125.09
    acrylonitrile 233.11
    aniline 153.03
    1,3-propanediol 324.01
    bromobenzene 105.77
    dibromomethane 267.86
    1,1,2,2-tetrachloroethane 351.3
    2-methyl-cyclohexyl acetate 88.62
    tetrabutyl urea 91.84
    diisobutyl methanol 82.37
    2-phenylethanol 180.6
    styrene 76.67
    dioctyl adipate 77.72
    dimethyl sulfate 123.14
    ethyl butyrate 72.5
    methyl lactate 151.45
    butyl lactate 111.26
    diethyl carbonate 53.4
    propanediol butyl ether 239.52
    triethyl orthoformate 61.53
    p-tert-butyltoluene 70.46
    methyl 4-tert-butylbenzoate 143.24
    morpholine 353.53
    tert-butylamine 295.8
    n-dodecanol 82.78
    dimethoxymethane 300.25
    ethylene carbonate 112.37
    cyrene 153.55
    2-ethoxyethyl acetate 102.02
    2-ethylhexyl acetate 80.82
    1,2,4-trichlorobenzene 139.51
    4-methylpyridine 205.89
    dibutyl ether 77.37
    2,6-dimethyl-4-heptanol 82.37
    DEF 168.86
    dimethyl isosorbide 214.86
    tetrachloroethylene 229.87
    eugenol 165.6
    triacetin 107.8
    span 80 156.84
    1,4-butanediol 171.13
    1,1-dichloroethane 258.88
    2-methyl-1-pentanol 135.39
    methyl formate 205.78
    2-methyl-1-butanol 199.85
    n-decane 28.23
    butyronitrile 190.43
    3,7-dimethyl-1-octanol 138.58
    1-chlorooctane 93.43
    1-chlorotetradecane 38.24
    n-nonane 28.44
    undecane 21.65
    tert-butylcyclohexane 27.46
    cyclooctane 23.22
    cyclopentanol 295.1
    tetrahydropyran 251.95
    tert-amyl methyl ether 159.92
    2,5,8-trioxanonane 208.84
    1-hexene 90.3
    2-isopropoxyethanol 167.69
    2,2,2-trifluoroethanol 106.84
    methyl butyrate 105.27

    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