Diamidafos

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  • Identifiers

    CAS number
    1754-58-1

    Molecular formula
    C8H13N2O2P

    SMILES
    CNP(=O)(NC)OC1=CC=CC=C1

  • Odor profile

    Fragrance
    Odorless 52.53%
    Savory 33.51%
    Meaty 27.15%
    Cheesy 25.22%
    Cooling 24.69%
    Cooked 23.28%
    Sulfurous 21.91%
    Ripe 20.17%
    Grape 19.12%
    Fishy 18.07%

     

    Flavor
    Odorless 45.27%
    Mild 33.54%
    Bland 23.5%
    Fruity 21.5%
    Yeast 21.35%
    Faint 20.52%
    Bitter 20.47%
    Sour 20.29%
    Urine 20.21%
    Orange flower 20.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.97 (neutral)

    Molecular weight
    200.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Melting point expt.

    • 101-103 °C

    Flash point

    • 158.9 ˚C est.

    Solubility expt.

    • IN WATER 4%; SOL IN ACETONE, CHLOROFORM, METHANOL, METHYLENE CHLORIDE
    • INSOL IN NON-POLAR SOLVENTS
    • Water solubility ca. 30 g/L
    • Water solubility = 50,000 mg/L

  • Synonyms

    • Diamidafos
    • 1754-58-1
    • Diamidfos
    • NELLITE
    • Phenyl N,N'-dimethylphosphorodiamidate
    • Diamidaphos
    • Diamidafos [ANSI]
    • Caswell No. 654B
    • Dowco 169
    • HSDB 1751
    • Diamidafos [ANSI:ISO]
    • UNII-8NX8P1GOF9
    • EINECS 217-144-7
    • EPA Pesticide Chemical Code 102101
    • BRN 0880587
    • AI3-27222
    • N-[methylamino(phenoxy)phosphoryl]methanamine
    • DIAMIDAFOS [ISO]
    • DIAMIDAFOS [HSDB]
    • 8NX8P1GOF9
    • Phosphorodiamidic acid, N,N'-dimethyl-, phenyl ester
    • DTXSID6041846
    • 3-06-00-00662 (Beilstein Handbook Reference)
    • Diamidafos (ANSI)
    • Diamidofos
    • O-Phenyl-N,N'-dimethyl-phosphorodiamidate
    • Diamidafos (ANSI:ISO)
    • O-Phenyl-N,N'-dimethyl phosphorodiamidate
    • SCHEMBL162660
    • DTXCID4021846
    • CHEBI:82164
    • BAA75458
    • Phenyl N,N'dimethylphosphorodiamidate
    • OPhenylN,N'dimethyl phosphorodiamidate
    • Phenyl N,N'-dimethyldiamidophosphate #
    • phenyl N,N/'-dimethylphosphorodiamidate
    • Phenyl-N,N'-dimethyl-phosphorodiamidate
    • NS00045595
    • C19035
    • Phosphorodiamidic acid, N,N'dimethyl, phenyl ester
    • Q27155775

  • Applications

    Diamidafos (CAS 1754-58-1) is primarily used as an intermediate in organophosphorus chemistry, acting as a precursor to phosphorus-containing compounds in industrial synthesis. It may serve as a solvent or reagent for certain organic transformations. In polymer and plastics formulations, it can function as a stabilizer or processing aid to improve thermal stability and processing characteristics. It can act as a chelating or complexing agent in metal finishing, catalysis-related processes, or formulation contexts. It is also encountered as a coupling agent or functional additive in coatings and inks, and may appear in cleaning formulations as a co-solvent or reactive component under appropriate regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 369.56
    methanol 853.84
    isopropanol 209.13
    water 58.82
    ethyl acetate 25.8
    n-propanol 263.01
    acetone 62.07
    n-butanol 168.18
    acetonitrile 74.09
    DMF 371.0
    toluene 19.18
    isobutanol 143.87
    1,4-dioxane 138.36
    methyl acetate 47.11
    THF 169.0
    2-butanone 57.15
    n-pentanol 138.61
    sec-butanol 177.58
    n-hexane 4.47
    ethylene glycol 223.13
    NMP 204.76
    cyclohexane 10.98
    DMSO 292.58
    n-butyl acetate 30.98
    n-octanol 54.11
    chloroform 239.81
    n-propyl acetate 33.2
    acetic acid 210.22
    dichloromethane 187.33
    cyclohexanone 89.93
    propylene glycol 245.39
    isopropyl acetate 19.86
    DMAc 275.9
    2-ethoxyethanol 195.28
    isopentanol 88.4
    n-heptane 6.13
    ethyl formate 69.34
    1,2-dichloroethane 84.26
    n-hexanol 92.6
    2-methoxyethanol 342.11
    isobutyl acetate 24.68
    tetrachloromethane 20.31
    n-pentyl acetate 40.77
    transcutol 118.18
    n-heptanol 69.27
    ethylbenzene 13.53
    MIBK 26.54
    2-propoxyethanol 147.3
    tert-butanol 138.63
    MTBE 49.98
    2-butoxyethanol 115.6
    propionic acid 136.97
    o-xylene 19.65
    formic acid 303.27
    diethyl ether 55.02
    m-xylene 12.55
    p-xylene 19.33
    chlorobenzene 36.96
    dimethyl carbonate 27.92
    n-octane 4.56
    formamide 296.17
    cyclopentanone 106.83
    2-pentanone 35.96
    anisole 37.84
    cyclopentyl methyl ether 51.75
    gamma-butyrolactone 119.09
    1-methoxy-2-propanol 173.37
    pyridine 111.22
    3-pentanone 29.59
    furfural 149.25
    n-dodecane 4.33
    diethylene glycol 155.56
    diisopropyl ether 11.39
    tert-amyl alcohol 116.81
    acetylacetone 27.67
    n-hexadecane 4.58
    acetophenone 46.1
    methyl propionate 35.13
    isopentyl acetate 29.35
    trichloroethylene 134.82
    n-nonanol 48.97
    cyclohexanol 99.54
    benzyl alcohol 70.43
    2-ethylhexanol 40.11
    isooctanol 49.19
    dipropyl ether 27.91
    1,2-dichlorobenzene 36.18
    ethyl lactate 47.25
    propylene carbonate 67.12
    n-methylformamide 246.47
    2-pentanol 80.06
    n-pentane 8.07
    1-propoxy-2-propanol 81.78
    1-methoxy-2-propyl acetate 34.87
    2-(2-methoxypropoxy) propanol 64.47
    mesitylene 9.72
    ε-caprolactone 74.81
    p-cymene 14.44
    epichlorohydrin 132.07
    1,1,1-trichloroethane 37.25
    2-aminoethanol 337.04
    morpholine-4-carbaldehyde 175.88
    sulfolane 162.59
    2,2,4-trimethylpentane 4.71
    2-methyltetrahydrofuran 92.46
    n-hexyl acetate 47.22
    isooctane 2.44
    2-(2-butoxyethoxy)ethanol 92.13
    sec-butyl acetate 20.93
    tert-butyl acetate 21.79
    decalin 4.4
    glycerin 293.79
    diglyme 131.05
    acrylic acid 143.83
    isopropyl myristate 19.87
    n-butyric acid 103.24
    acetyl acetate 18.05
    di(2-ethylhexyl) phthalate 34.51
    ethyl propionate 23.64
    nitromethane 164.22
    1,2-diethoxyethane 42.83
    benzonitrile 59.73
    trioctyl phosphate 27.89
    1-bromopropane 51.98
    gamma-valerolactone 147.77
    n-decanol 37.87
    triethyl phosphate 23.1
    4-methyl-2-pentanol 35.29
    propionitrile 80.77
    vinylene carbonate 83.28
    1,1,2-trichlorotrifluoroethane 155.95
    DMS 27.69
    cumene 12.1
    2-octanol 45.19
    2-hexanone 42.07
    octyl acetate 30.84
    limonene 19.54
    1,2-dimethoxyethane 169.62
    ethyl orthosilicate 23.93
    tributyl phosphate 25.1
    diacetone alcohol 46.14
    N,N-dimethylaniline 39.27
    acrylonitrile 96.58
    aniline 57.11
    1,3-propanediol 255.01
    bromobenzene 27.31
    dibromomethane 113.32
    1,1,2,2-tetrachloroethane 137.72
    2-methyl-cyclohexyl acetate 33.36
    tetrabutyl urea 37.0
    diisobutyl methanol 21.21
    2-phenylethanol 59.91
    styrene 16.53
    dioctyl adipate 31.16
    dimethyl sulfate 46.96
    ethyl butyrate 24.92
    methyl lactate 65.92
    butyl lactate 50.76
    diethyl carbonate 21.79
    propanediol butyl ether 100.67
    triethyl orthoformate 26.85
    p-tert-butyltoluene 14.24
    methyl 4-tert-butylbenzoate 52.99
    morpholine 201.19
    tert-butylamine 86.25
    n-dodecanol 28.78
    dimethoxymethane 123.88
    ethylene carbonate 63.43
    cyrene 82.12
    2-ethoxyethyl acetate 44.86
    2-ethylhexyl acetate 24.94
    1,2,4-trichlorobenzene 46.47
    4-methylpyridine 80.48
    dibutyl ether 25.96
    2,6-dimethyl-4-heptanol 21.21
    DEF 73.16
    dimethyl isosorbide 76.28
    tetrachloroethylene 87.3
    eugenol 70.25
    triacetin 42.01
    span 80 70.87
    1,4-butanediol 149.96
    1,1-dichloroethane 66.44
    2-methyl-1-pentanol 78.63
    methyl formate 133.62
    2-methyl-1-butanol 102.58
    n-decane 6.47
    butyronitrile 76.92
    3,7-dimethyl-1-octanol 36.74
    1-chlorooctane 21.69
    1-chlorotetradecane 9.99
    n-nonane 5.75
    undecane 5.07
    tert-butylcyclohexane 3.98
    cyclooctane 3.72
    cyclopentanol 137.67
    tetrahydropyran 103.11
    tert-amyl methyl ether 40.24
    2,5,8-trioxanonane 97.79
    1-hexene 16.9
    2-isopropoxyethanol 100.55
    2,2,2-trifluoroethanol 95.31
    methyl butyrate 39.57

    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