Pyrocoll

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  • Identifiers

    CAS number
    484-73-1

    Molecular formula
    C10H6N2O2

    SMILES
    C1=CN2C(=C1)C(=O)N3C=CC=C3C2=O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.39%
    Burnt 39.89%
    Bitter 31.37%
    Fruity 23.92%
    Nutty 23.07%
    Musty 21.97%
    Roasted 19.94%
    Pungent 19.22%
    Cooked 19.18%
    Aromatic 15.97%

     

    Flavor
    Bitter 96.95%
    Odorless 28.09%
    Very strong 18.69%
    Nitrile 18.67%
    Indole 18.14%
    Rotten 17.81%
    Moth ball 17.6%
    Bread crust 17.56%
    Cereal 17.34%
    Naphthelene 17.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.52 (neutral)

    Molecular weight
    186.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    454°C

    Melting point expt.

    • 272 - 273 °C

    Flash point

    • 134.01 ˚C est.

  • Synonyms

    • Pyrocoll
    • 484-73-1
    • 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
    • XX87IX52NI
    • DTXSID801319137
    • 5H,10H-Dipyrrolo(1,2-a:1',2'-d)pyrazine-5,10-dione
    • 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione
    • 1,7-diazatricyclo(7.3.0.0^(3,7))dodeca-3,5,9,11-tetraene-2,8-dione
    • 1,7-diazatricyclo(7.3.0.03,7)dodeca-3,5,9,11-tetraene-2,8-dione
    • 1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5,9,11-tetraene-2,8-dione
    • RefChem:177814
    • DTXCID201748566
    • 1,7-diazatricyclo[7.3.0.0?,?]dodeca-3,5,9,11-tetraene-2,8-dione
    • UNII-XX87IX52NI
    • orb1694207
    • SCHEMBL14088768
    • CHEBI:172429
    • MFCD28334628
    • AKOS040754920
    • HY-124509
    • CS-0086716
    • 484-73-1

  • Applications

    Pyrocoll, CAS 484-73-1, is typically used in industrial formulations as a solvent and as an intermediate in organic synthesis; it also serves as a processing aid in coatings and inks and can function as a plasticizer or stabilizer in polymer formulations. Additional roles include being an additive or solvent component in adhesives and cleaning products, with potential use in cosmetics or household formulations under regulatory guidelines, and all applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.37
    methanol 15.31
    isopropanol 7.24
    water 11.55
    ethyl acetate 11.69
    n-propanol 7.71
    acetone 20.76
    n-butanol 6.66
    acetonitrile 15.36
    DMF 93.84
    toluene 4.31
    isobutanol 6.1
    1,4-dioxane 21.09
    methyl acetate 15.89
    THF 17.88
    2-butanone 15.54
    n-pentanol 8.38
    sec-butanol 6.37
    n-hexane 0.66
    ethylene glycol 16.29
    NMP 69.92
    cyclohexane 0.98
    DMSO 67.34
    n-butyl acetate 12.05
    n-octanol 11.88
    chloroform 22.28
    n-propyl acetate 11.02
    acetic acid 16.06
    dichloromethane 38.51
    cyclohexanone 27.92
    propylene glycol 6.39
    isopropyl acetate 7.56
    DMAc 88.46
    2-ethoxyethanol 25.72
    isopentanol 6.31
    n-heptane 1.36
    ethyl formate 19.35
    1,2-dichloroethane 28.15
    n-hexanol 9.12
    2-methoxyethanol 35.88
    isobutyl acetate 6.66
    tetrachloromethane 4.96
    n-pentyl acetate 16.94
    transcutol 31.6
    n-heptanol 10.93
    ethylbenzene 4.64
    MIBK 8.67
    2-propoxyethanol 23.43
    tert-butanol 6.44
    MTBE 3.84
    2-butoxyethanol 24.15
    propionic acid 13.76
    o-xylene 5.62
    formic acid 24.53
    diethyl ether 5.44
    m-xylene 4.59
    p-xylene 7.45
    chlorobenzene 12.53
    dimethyl carbonate 15.63
    n-octane 1.33
    formamide 49.73
    cyclopentanone 27.67
    2-pentanone 11.36
    anisole 8.94
    cyclopentyl methyl ether 8.31
    gamma-butyrolactone 38.88
    1-methoxy-2-propanol 19.09
    pyridine 28.01
    3-pentanone 11.16
    furfural 55.72
    n-dodecane 1.5
    diethylene glycol 37.02
    diisopropyl ether 2.11
    tert-amyl alcohol 6.41
    acetylacetone 17.95
    n-hexadecane 1.68
    acetophenone 18.9
    methyl propionate 14.16
    isopentyl acetate 10.25
    trichloroethylene 41.75
    n-nonanol 11.33
    cyclohexanol 8.25
    benzyl alcohol 16.27
    2-ethylhexanol 7.68
    isooctanol 9.13
    dipropyl ether 5.65
    1,2-dichlorobenzene 16.82
    ethyl lactate 14.02
    propylene carbonate 24.08
    n-methylformamide 42.01
    2-pentanol 4.42
    n-pentane 0.62
    1-propoxy-2-propanol 14.83
    1-methoxy-2-propyl acetate 15.43
    2-(2-methoxypropoxy) propanol 19.64
    mesitylene 3.66
    ε-caprolactone 27.18
    p-cymene 5.99
    epichlorohydrin 38.78
    1,1,1-trichloroethane 10.12
    2-aminoethanol 13.55
    morpholine-4-carbaldehyde 63.26
    sulfolane 56.73
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 11.67
    n-hexyl acetate 17.44
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 24.54
    sec-butyl acetate 6.54
    tert-butyl acetate 6.75
    decalin 1.04
    glycerin 19.08
    diglyme 45.58
    acrylic acid 18.7
    isopropyl myristate 8.43
    n-butyric acid 13.26
    acetyl acetate 9.22
    di(2-ethylhexyl) phthalate 12.41
    ethyl propionate 10.2
    nitromethane 34.88
    1,2-diethoxyethane 14.4
    benzonitrile 22.85
    trioctyl phosphate 10.59
    1-bromopropane 8.04
    gamma-valerolactone 51.71
    n-decanol 9.32
    triethyl phosphate 10.33
    4-methyl-2-pentanol 3.64
    propionitrile 13.63
    vinylene carbonate 29.45
    1,1,2-trichlorotrifluoroethane 40.04
    DMS 18.23
    cumene 4.59
    2-octanol 8.82
    2-hexanone 12.3
    octyl acetate 11.72
    limonene 6.29
    1,2-dimethoxyethane 39.2
    ethyl orthosilicate 8.51
    tributyl phosphate 10.7
    diacetone alcohol 14.32
    N,N-dimethylaniline 10.85
    acrylonitrile 24.95
    aniline 10.13
    1,3-propanediol 15.08
    bromobenzene 10.13
    dibromomethane 19.94
    1,1,2,2-tetrachloroethane 29.83
    2-methyl-cyclohexyl acetate 11.14
    tetrabutyl urea 18.81
    diisobutyl methanol 4.85
    2-phenylethanol 16.6
    styrene 5.07
    dioctyl adipate 13.43
    dimethyl sulfate 30.01
    ethyl butyrate 10.61
    methyl lactate 18.47
    butyl lactate 17.4
    diethyl carbonate 9.6
    propanediol butyl ether 18.73
    triethyl orthoformate 9.09
    p-tert-butyltoluene 4.75
    methyl 4-tert-butylbenzoate 21.08
    morpholine 21.5
    tert-butylamine 3.95
    n-dodecanol 7.62
    dimethoxymethane 30.83
    ethylene carbonate 23.37
    cyrene 27.3
    2-ethoxyethyl acetate 21.12
    2-ethylhexyl acetate 9.37
    1,2,4-trichlorobenzene 18.17
    4-methylpyridine 22.18
    dibutyl ether 7.93
    2,6-dimethyl-4-heptanol 4.85
    DEF 29.02
    dimethyl isosorbide 30.33
    tetrachloroethylene 27.18
    eugenol 27.88
    triacetin 18.38
    span 80 17.31
    1,4-butanediol 12.82
    1,1-dichloroethane 11.72
    2-methyl-1-pentanol 7.91
    methyl formate 33.07
    2-methyl-1-butanol 6.15
    n-decane 2.05
    butyronitrile 11.76
    3,7-dimethyl-1-octanol 8.14
    1-chlorooctane 7.25
    1-chlorotetradecane 3.66
    n-nonane 1.76
    undecane 1.75
    tert-butylcyclohexane 0.8
    cyclooctane 0.54
    cyclopentanol 10.15
    tetrahydropyran 8.69
    tert-amyl methyl ether 4.25
    2,5,8-trioxanonane 34.24
    1-hexene 2.58
    2-isopropoxyethanol 16.35
    2,2,2-trifluoroethanol 19.99
    methyl butyrate 15.49

    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