Paraoxon

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  • Identifiers

    CAS number
    311-45-5

    Molecular formula
    C10H14NO6P

    SMILES
    CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 54.51%
    Floral 38.87%
    Balsamic 27.89%
    Grape 23.59%
    Sweet 22.06%
    Herbal 21.57%
    Fresh 21.38%
    Aromatic 20.62%
    Phenolic 19.88%
    Clean 19.33%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    275.19 g/mol

    Melting point expt.

    • 300 °C

    Boiling point

    • 336 to 338 °F at 760 mmHg (NTP, 1992)
    • 169-170 °C at 1.0 mm Hg

    Flash point est.
    176.91 ˚C

    Solubility expt.

    • Sparingly soluble (NTP, 1992)
    • Freely soluble in ether and other organic solvents
    • In water, 3,640 mg/l at 20 °C.
    • 3.64 mg/mL at 20 °C

  • Synonyms

    • PARAOXON
    • 311-45-5
    • Phosphacol
    • Diethyl paraoxon
    • Diethyl 4-nitrophenyl phosphate
    • Diethyl p-nitrophenyl phosphate
    • Miotisal
    • Ethyl paraoxon
    • Paraoxon-ethyl
    • Phosphachole
    • Fosfakol
    • Mintacol
    • Chinorto
    • Oxyparathion
    • Phosphakol
    • Phosphoric acid, diethyl 4-nitrophenyl ester
    • Diethylparaoxon
    • Soluglaucit
    • Chinorta
    • Mintaco
    • Paraoxone
    • Paroxan
    • Eticol
    • Ethyl paraoxan
    • Miotisal A
    • Mintisal
    • Soluglacit
    • Diethyl-p-nitrophenyl phosphate
    • p-Nitrophenyl diethyl phosphate
    • Ester 25
    • Pestox 101
    • E 600 (pesticide)
    • Rcra waste number P041
    • Phosphoric acid diethyl 4-nitrophenyl ester
    • O,O-Diethyl O-p-nitrophenyl phosphate
    • diethyl (4-nitrophenyl) phosphate
    • E 600
    • E-600
    • O,O-Dietyl-O-p-nitrofenylfosfat
    • Ts 219
    • O,O'Diaethyl-p-nitrophenylphosphat
    • p-Nitrophenyl diethylphosphate
    • CCRIS 7780
    • ENT 16,087
    • NSC 404110
    • HC 2072
    • Parathion oxon
    • HSDB 6044
    • Ethyl p-nitrophenyl ethylphosphate
    • UNII-Q9CX8P80JW
    • Phosphoric acid, diethyl p-nitrophenyl ester
    • EINECS 206-221-0
    • Q9CX8P80JW
    • Diethyl-p-nitrofenyl ester kyseliny fosforecne
    • NSC-404110
    • Parathion ethyl oxon
    • BRN 1915526
    • Diaethyl-p-nitrophenylphosphorsaeureester
    • Phosphonothioic acid, diethylparanitrophenyl ester
    • DTXSID6024046
    • O,O-Dietyl-O-p-nitrofenylfosfat [Czech]
    • CHEBI:27827
    • AI3-16087
    • O,O-Diethyl-O-p-nitrophenylphosphoric acid
    • O,O'Diaethyl-p-nitrophenylphosphat [German]
    • PARAOXON [HSDB]
    • PARAOXON [MI]
    • Phenol, p-nitro-, ester with diethyl phosphate
    • PARAOXON [MART.]
    • Diaethyl-p-nitrophenylphosphorsaeureester [German]
    • O,O-Diethyl phosphoric acid O-p-nitrophenyl ester
    • PARAOXON [WHO-DD]
    • Diethyl-p-nitrofenyl ester kyseliny fosforecne [Czech]
    • CHEMBL23838
    • DTXCID004046
    • PARAOXON (MART.)
    • O,O-Diethyl Phosphoric acid, O-(p-nitrophenyl) ester
    • paraoxan
    • CAS-311-45-5
    • O,O-DIETYL-O-P-NITROFENYLFOSFAT (CZECH)
    • RCRA waste no. P041
    • DIETHYL-P-NITROFENYL ESTER KYSELINY FOSFORECNE (CZECH)
    • Para-oxon
    • Diethyl p Nitrophenyl Phosphate
    • 4-Nitrophenyl Diethyl Phosphate
    • Phosphate, Diethyl-p-Nitrophenyl
    • FOSFACOL
    • E600
    • O,O-Diethyl O-(4-nitrophenyl) phosphate
    • O,ODietylOpnitrofenylfosfat
    • pNitrophenyl diethylphosphate
    • SCHEMBL26405
    • Diethyl pnitrophenyl phosphate
    • Paraoxon, analytical standard
    • pNitrophenyl diethyl phosphate
    • Diethyl 4nitrophenyl phosphate
    • O,O'Diaethylpnitrophenylphosphat
    • Ethyl pnitrophenyl ethylphosphate
    • GLXC-20226
    • O,ODiethyl Opnitrophenyl phosphate
    • BCP04403
    • Phenol, ester with diethyl phosphate
    • Tox21_202424
    • Tox21_303047
    • BDBM50240416
    • Diaethylpnitrophenylphosphorsaeureester
    • Diethyl p-nitrophenyl phosphoric acid
    • MFCD00007316
    • NSC404110
    • O,O-Diethyl-O-p-nitrophenylphosphate
    • p-Nitrophenyl diethyl phosphoric acid
    • P-NITROPHENYLDIETHYL PHOSPHATE
    • Phosphate diethyl 4-nitrophenyl ester
    • AKOS015888333
    • WLN: WNR DOPO & O2 & O2
    • DB13495
    • O,O-Diethyl O-4-nitrophenyl phosphate
    • NCGC00164276-01
    • NCGC00164276-02
    • NCGC00256967-01
    • NCGC00259973-01
    • Phosphoric acid diethyl 4nitrophenyl ester
    • O,O'-DIAETHYL-P-NITROPHENYLPHOSPHAT
    • Phosphoric acid, diethyl pnitrophenyl ester
    • DB-047976
    • Diethylpnitrofenyl ester kyseliny fosforecne
    • NS00003670
    • O,O-Diethyl O-p-nitrophenyl phosphoric acid

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.58
    methanol 202.74
    isopropanol 105.19
    water 4.83
    ethyl acetate 141.68
    n-propanol 107.04
    acetone 294.26
    n-butanol 99.65
    acetonitrile 167.61
    DMF 714.87
    toluene 78.64
    isobutanol 67.94
    1,4-dioxane 275.06
    methyl acetate 173.83
    THF 279.45
    2-butanone 216.13
    n-pentanol 109.86
    sec-butanol 132.37
    n-hexane 5.98
    ethylene glycol 47.17
    NMP 461.21
    cyclohexane 12.61
    DMSO 580.31
    n-butyl acetate 100.34
    n-octanol 80.07
    chloroform 397.23
    n-propyl acetate 121.47
    acetic acid 169.88
    dichloromethane 409.72
    cyclohexanone 285.39
    propylene glycol 61.85
    isopropyl acetate 95.88
    DMAc 514.86
    2-ethoxyethanol 225.1
    isopentanol 71.28
    n-heptane 6.71
    ethyl formate 148.93
    1,2-dichloroethane 298.9
    n-hexanol 73.77
    2-methoxyethanol 286.68
    isobutyl acetate 66.27
    tetrachloromethane 29.38
    n-pentyl acetate 115.77
    transcutol 240.39
    n-heptanol 62.01
    ethylbenzene 54.29
    MIBK 94.29
    2-propoxyethanol 162.03
    tert-butanol 121.61
    MTBE 87.87
    2-butoxyethanol 121.74
    propionic acid 118.32
    o-xylene 64.14
    formic acid 129.55
    diethyl ether 108.82
    m-xylene 47.3
    p-xylene 79.86
    chlorobenzene 152.47
    dimethyl carbonate 108.4
    n-octane 7.5
    formamide 267.14
    cyclopentanone 275.14
    2-pentanone 155.33
    anisole 130.11
    cyclopentyl methyl ether 99.61
    gamma-butyrolactone 325.34
    1-methoxy-2-propanol 209.43
    pyridine 283.37
    3-pentanone 134.36
    furfural 405.02
    n-dodecane 9.91
    diethylene glycol 149.9
    diisopropyl ether 29.46
    tert-amyl alcohol 120.78
    acetylacetone 213.59
    n-hexadecane 11.23
    acetophenone 164.71
    methyl propionate 135.75
    isopentyl acetate 79.28
    trichloroethylene 493.39
    n-nonanol 76.11
    cyclohexanol 103.92
    benzyl alcohol 147.59
    2-ethylhexanol 47.37
    isooctanol 47.93
    dipropyl ether 51.72
    1,2-dichlorobenzene 149.72
    ethyl lactate 95.87
    propylene carbonate 186.16
    n-methylformamide 292.64
    2-pentanol 77.75
    n-pentane 7.1
    1-propoxy-2-propanol 110.73
    1-methoxy-2-propyl acetate 108.04
    2-(2-methoxypropoxy) propanol 122.75
    mesitylene 34.17
    ε-caprolactone 221.32
    p-cymene 36.33
    epichlorohydrin 335.69
    1,1,1-trichloroethane 160.1
    2-aminoethanol 84.5
    morpholine-4-carbaldehyde 405.17
    sulfolane 407.26
    2,2,4-trimethylpentane 5.15
    2-methyltetrahydrofuran 162.23
    n-hexyl acetate 138.97
    isooctane 2.88
    2-(2-butoxyethoxy)ethanol 154.04
    sec-butyl acetate 75.88
    tert-butyl acetate 100.39
    decalin 8.31
    glycerin 101.91
    diglyme 232.13
    acrylic acid 142.16
    isopropyl myristate 66.66
    n-butyric acid 129.39
    acetyl acetate 112.57
    di(2-ethylhexyl) phthalate 73.09
    ethyl propionate 105.77
    nitromethane 405.39
    1,2-diethoxyethane 128.38
    benzonitrile 182.54
    trioctyl phosphate 56.95
    1-bromopropane 122.0
    gamma-valerolactone 452.98
    n-decanol 63.75
    triethyl phosphate 63.42
    4-methyl-2-pentanol 39.34
    propionitrile 139.98
    vinylene carbonate 218.17
    1,1,2-trichlorotrifluoroethane 257.43
    DMS 120.36
    cumene 37.37
    2-octanol 63.71
    2-hexanone 134.43
    octyl acetate 90.85
    limonene 42.97
    1,2-dimethoxyethane 344.91
    ethyl orthosilicate 55.88
    tributyl phosphate 67.44
    diacetone alcohol 134.84
    N,N-dimethylaniline 103.06
    acrylonitrile 213.49
    aniline 112.56
    1,3-propanediol 128.35
    bromobenzene 145.07
    dibromomethane 243.32
    1,1,2,2-tetrachloroethane 380.45
    2-methyl-cyclohexyl acetate 80.56
    tetrabutyl urea 104.37
    diisobutyl methanol 34.05
    2-phenylethanol 105.86
    styrene 74.38
    dioctyl adipate 91.25
    dimethyl sulfate 199.3
    ethyl butyrate 86.68
    methyl lactate 119.33
    butyl lactate 99.2
    diethyl carbonate 70.73
    propanediol butyl ether 132.18
    triethyl orthoformate 66.67
    p-tert-butyltoluene 33.89
    methyl 4-tert-butylbenzoate 132.06
    morpholine 250.97
    tert-butylamine 61.5
    n-dodecanol 52.39
    dimethoxymethane 270.01
    ethylene carbonate 159.45
    cyrene 156.37
    2-ethoxyethyl acetate 143.72
    2-ethylhexyl acetate 68.76
    1,2,4-trichlorobenzene 167.83
    4-methylpyridine 269.9
    dibutyl ether 70.59
    2,6-dimethyl-4-heptanol 34.05
    DEF 229.01
    dimethyl isosorbide 184.45
    tetrachloroethylene 207.66
    eugenol 140.94
    triacetin 145.11
    span 80 111.58
    1,4-butanediol 85.63
    1,1-dichloroethane 202.65
    2-methyl-1-pentanol 87.5
    methyl formate 232.74
    2-methyl-1-butanol 74.48
    n-decane 13.29
    butyronitrile 132.98
    3,7-dimethyl-1-octanol 59.18
    1-chlorooctane 53.09
    1-chlorotetradecane 29.24
    n-nonane 11.3
    undecane 11.32
    tert-butylcyclohexane 5.93
    cyclooctane 4.89
    cyclopentanol 110.44
    tetrahydropyran 164.3
    tert-amyl methyl ether 83.14
    2,5,8-trioxanonane 189.87
    1-hexene 31.58
    2-isopropoxyethanol 133.59
    2,2,2-trifluoroethanol 96.11
    methyl butyrate 142.74

    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