Tabun

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  • Identifiers

    CAS number
    77-81-6

    Molecular formula
    C5H11N2O2P

    SMILES
    CCOP(=O)(C#N)N(C)C

  • Odor profile

    Odorless 51.83%
    Sweet 23.44%
    Mint 19.91%
    Savory 19.62%
    Cooling 18.86%
    Bitter 17.63%
    Citrus 16.28%
    Milky 15.99%
    Meaty 15.67%
    Dry 15.65%

    Scent© AI

  • Properties

    XLogP3-AA
    0.1

    Molecular weight
    162.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -58 °F (EPA, 1998)
    • -50 °C

    Boiling point

    • 464 °F at 760 mmHg (EPA, 1998)
    • 240 °C at 760 mm Hg; 120 °C at 10 mm Hg; 100-108 °C at 9 mm Hg

    Flash point est.
    86.03 ˚C

    Flash point expt.

    • 172 °F (EPA, 1998)

    Solubility expt.

    • Readily soluble in organic solvents.
    • In water, 9.8X10+4 mg/L at 25 °C

  • Synonyms

    • TABUN
    • 77-81-6
    • Taboon A
    • Gelan I
    • Trilon 83
    • Ethyl dimethylphosphoramidocyanidate
    • Dimethylamidoethoxyphosphoryl cyanide
    • Ethyl dimethylamidocyanophosphate
    • Ethyl N,N-dimethylphosphoramidocyanidate
    • GA (chemical warfare agent)
    • Le-100
    • Ethyl phosphorodimethylamidocyanidate
    • Ethyl N-dimethylphosphoramidocyanidate
    • [dimethylamino(ethoxy)phosphoryl]formonitrile
    • CCRIS 3421
    • Dimethylphosphoramidocyanidic acid, ethyl ester
    • EA 1205
    • TL 1578
    • HSDB 6378
    • Ethyl dimethylphosphoramido cyanidate
    • UNII-S45M750QSH
    • GA [Chemical Warfare Agent]
    • T-2104
    • BRN 1769395
    • Dimethylaminocyanphosphorsaeureaethylester
    • S45M750QSH
    • N,N-dimethylamido-O-ethyl cyanophosphate
    • Phosphoramidocyanidic acid, dimethyl-, ethyl ester
    • O-Ethyl N,N-dimethylphosphoramidocyanidate
    • Ethylester-dimethylamid kyseliny kyanfosfonove
    • TABUN [MI]
    • Dimethylaminocyanphosphorsaeureaethylester [German]
    • Ethylester-dimethylamid kyseliny kyanfosfonove [Czech]
    • O-Ethyl N,N-dimethyl phosphoramidocyanidate
    • CHEMBL446997
    • (+/-)-TABUN
    • DTXSID80861631
    • 4-04-00-00275 (Beilstein Handbook Reference)
    • Phosphoramidocyanidic acid, N,N-dimethyl-, ethyl ester
    • Ethyl N,N-dimethylamino cyanophosphate
    • N,N-DIMETHYLPHOSPHORAMIDOCYANIDIC ACID ETHYL ESTER
    • Dimethylaminocyanphosphorsaeureaethylester (German)
    • Ethylester-dimethylamid kyseliny kyanfosfonove (Czech)
    • Nerve Agent GA
    • Agent GA
    • SCHEMBL60863
    • Le100
    • G-SERIES NERVE AGENT GA
    • DTXCID80810528
    • Ethyl Ndimethylphosphoramidocyanidate
    • Ethyl dimethylamidocyanidophosphate #
    • BDBM50241987
    • AKOS006277925
    • Ethyl N,Ndimethylphosphoramidocyanidate
    • OEthyl N,Ndimethylphosphoramidocyanidate
    • ETHYL DIMETHYLAMIDOCYANO-PHOSPHATE
    • PD193237
    • Ethylesterdimethylamid kyseliny kyanfosfonove
    • NS00076441
    • T2104
    • Phosphoramidocyanidic acid, dimethyl, ethyl ester
    • Q143289
    • Phosphoramidocyanidic acid, N,Ndimethyl, ethyl ester
    • PHOSPHORAMIDO-CYANIDIC ACID, DIMETHYL-, ETHYL ESTER

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.29
    methanol 229.18
    isopropanol 48.07
    water 99.4
    ethyl acetate 28.96
    n-propanol 57.22
    acetone 63.53
    n-butanol 35.56
    acetonitrile 74.63
    DMF 147.08
    toluene 12.56
    isobutanol 33.59
    1,4-dioxane 86.76
    methyl acetate 51.99
    THF 82.22
    2-butanone 43.94
    n-pentanol 31.54
    sec-butanol 41.86
    n-hexane 1.36
    ethylene glycol 141.94
    NMP 173.93
    cyclohexane 4.29
    DMSO 177.65
    n-butyl acetate 26.74
    n-octanol 25.32
    chloroform 160.08
    n-propyl acetate 26.36
    acetic acid 190.66
    dichloromethane 122.42
    cyclohexanone 66.83
    propylene glycol 92.31
    isopropyl acetate 19.06
    DMAc 126.57
    2-ethoxyethanol 98.57
    isopentanol 22.5
    n-heptane 3.08
    ethyl formate 56.02
    1,2-dichloroethane 61.61
    n-hexanol 32.82
    2-methoxyethanol 147.9
    isobutyl acetate 17.98
    tetrachloromethane 30.45
    n-pentyl acetate 30.19
    transcutol 100.76
    n-heptanol 28.66
    ethylbenzene 8.83
    MIBK 17.85
    2-propoxyethanol 81.54
    tert-butanol 46.79
    MTBE 24.81
    2-butoxyethanol 62.29
    propionic acid 79.11
    o-xylene 15.18
    formic acid 292.51
    diethyl ether 21.34
    m-xylene 9.94
    p-xylene 13.09
    chlorobenzene 35.59
    dimethyl carbonate 25.71
    n-octane 2.15
    formamide 229.8
    cyclopentanone 87.41
    2-pentanone 25.54
    anisole 27.58
    cyclopentyl methyl ether 28.77
    gamma-butyrolactone 118.73
    1-methoxy-2-propanol 75.51
    pyridine 71.48
    3-pentanone 23.25
    furfural 167.58
    n-dodecane 2.2
    diethylene glycol 129.08
    diisopropyl ether 7.06
    tert-amyl alcohol 40.87
    acetylacetone 41.42
    n-hexadecane 2.45
    acetophenone 42.49
    methyl propionate 31.97
    isopentyl acetate 24.77
    trichloroethylene 133.43
    n-nonanol 23.01
    cyclohexanol 36.84
    benzyl alcohol 47.71
    2-ethylhexanol 19.98
    isooctanol 22.25
    dipropyl ether 13.78
    1,2-dichlorobenzene 42.18
    ethyl lactate 37.9
    propylene carbonate 68.99
    n-methylformamide 131.05
    2-pentanol 21.45
    n-pentane 2.21
    1-propoxy-2-propanol 48.37
    1-methoxy-2-propyl acetate 37.43
    2-(2-methoxypropoxy) propanol 53.36
    mesitylene 7.96
    ε-caprolactone 67.59
    p-cymene 13.37
    epichlorohydrin 100.94
    1,1,1-trichloroethane 51.8
    2-aminoethanol 121.98
    morpholine-4-carbaldehyde 149.07
    sulfolane 186.71
    2,2,4-trimethylpentane 2.67
    2-methyltetrahydrofuran 52.86
    n-hexyl acetate 36.7
    isooctane 1.52
    2-(2-butoxyethoxy)ethanol 64.96
    sec-butyl acetate 16.07
    tert-butyl acetate 23.63
    decalin 2.93
    glycerin 158.71
    diglyme 107.87
    acrylic acid 111.42
    isopropyl myristate 15.72
    n-butyric acid 52.61
    acetyl acetate 29.18
    di(2-ethylhexyl) phthalate 28.85
    ethyl propionate 19.23
    nitromethane 224.02
    1,2-diethoxyethane 29.18
    benzonitrile 58.59
    trioctyl phosphate 22.58
    1-bromopropane 20.88
    gamma-valerolactone 130.36
    n-decanol 17.88
    triethyl phosphate 22.07
    4-methyl-2-pentanol 11.97
    propionitrile 44.78
    vinylene carbonate 81.8
    1,1,2-trichlorotrifluoroethane 177.62
    DMS 36.01
    cumene 8.68
    2-octanol 19.74
    2-hexanone 24.75
    octyl acetate 22.98
    limonene 17.83
    1,2-dimethoxyethane 84.4
    ethyl orthosilicate 20.08
    tributyl phosphate 21.56
    diacetone alcohol 40.39
    N,N-dimethylaniline 26.17
    acrylonitrile 77.31
    aniline 34.64
    1,3-propanediol 97.46
    bromobenzene 27.72
    dibromomethane 69.02
    1,1,2,2-tetrachloroethane 127.9
    2-methyl-cyclohexyl acetate 32.17
    tetrabutyl urea 29.08
    diisobutyl methanol 12.29
    2-phenylethanol 45.83
    styrene 10.81
    dioctyl adipate 27.25
    dimethyl sulfate 58.06
    ethyl butyrate 22.51
    methyl lactate 49.02
    butyl lactate 38.84
    diethyl carbonate 20.0
    propanediol butyl ether 64.88
    triethyl orthoformate 22.34
    p-tert-butyltoluene 14.37
    methyl 4-tert-butylbenzoate 51.83
    morpholine 95.12
    tert-butylamine 26.2
    n-dodecanol 13.85
    dimethoxymethane 58.89
    ethylene carbonate 57.88
    cyrene 82.68
    2-ethoxyethyl acetate 44.73
    2-ethylhexyl acetate 21.02
    1,2,4-trichlorobenzene 61.6
    4-methylpyridine 50.04
    dibutyl ether 11.89
    2,6-dimethyl-4-heptanol 12.29
    DEF 44.01
    dimethyl isosorbide 80.36
    tetrachloroethylene 98.97
    eugenol 60.01
    triacetin 51.59
    span 80 50.52
    1,4-butanediol 63.31
    1,1-dichloroethane 47.77
    2-methyl-1-pentanol 24.19
    methyl formate 117.69
    2-methyl-1-butanol 26.31
    n-decane 3.32
    butyronitrile 34.1
    3,7-dimethyl-1-octanol 19.74
    1-chlorooctane 13.21
    1-chlorotetradecane 6.21
    n-nonane 3.01
    undecane 2.63
    tert-butylcyclohexane 2.93
    cyclooctane 1.9
    cyclopentanol 52.02
    tetrahydropyran 40.92
    tert-amyl methyl ether 22.19
    2,5,8-trioxanonane 82.43
    1-hexene 4.59
    2-isopropoxyethanol 59.75
    2,2,2-trifluoroethanol 122.53
    methyl butyrate 29.13

    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