Troclosene

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  • Identifiers

    CAS number
    2782-57-2

    Molecular formula
    C3HCl2N3O3

    SMILES
    C1(=O)NC(=O)N(C(=O)N1Cl)Cl

    Safety labels

    Oxidizer
    Oxidizer

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 78.84%
    Bitter 24.46%
    Burnt 20.45%
    Pungent 16.24%
    Sharp 13.27%
    Sour 11.81%
    Cooked 11.58%
    Musty 10.5%
    Aromatic 10.43%
    Caramellic 10.23%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    Molecular weight
    197.96 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    372°C

    Melting point expt.

    • 437 °F (NTP, 1992)
    • 226.6 °C

    Flash point est.
    242.75 ˚C

    Solubility expt.

    • Insoluble (<1 mg/ml at 81 °F) (NTP, 1992)
    • Readily soluble in polar organic solvents (ketones, nitriles, esters)
    • Moderately soluble in water
    • Aqueous solubility = 0.7% at 20 °C

  • Synonyms

    • DICHLOROISOCYANURIC ACID
    • Troclosene
    • 2782-57-2
    • Dichloro-1,3,5-triazinetrione
    • Dichlorocyanuric acid
    • Dichloroisocyanurate
    • Dichloro-s-triazinetrione
    • Troclosene [INN]
    • Caswell No. 327
    • 1,3-dichloro-1,3,5-triazinane-2,4,6-trione
    • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-
    • CCRIS 4787
    • HSDB 5897
    • EINECS 220-487-5
    • Taharsept (TN)
    • UNII-PHR838Y52L
    • UN2465
    • Troclosene (DCF)
    • Actichlor
    • EPA Pesticide Chemical Code 081401
    • DTXSID8024993
    • Sodium troclosene
    • AI3-25257
    • Dichloro-s-triazine-2,4,6-trione
    • Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione
    • TROCLOSENE [HSDB]
    • ACL-59
    • TROCLOSENE [MART.]
    • TROCLOSENE [WHO-DD]
    • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-
    • Potassium dichloro-s-triazinetrione
    • DTXCID104993
    • PHR838Y52L
    • Presept
    • chlorcyanurate
    • chlordesine
    • chlordezine
    • Neoaquasept
    • Dikon
    • Orced
    • TROCLOSENE (MART.)
    • Hilite 60
    • Isocyanuric dichloride
    • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt
    • Fi Clor 71
    • DICHLOROISOCYANURIC ACID, (DRY)
    • DICHLOROISOCYANURIC ACID, [DRY]
    • Isocyanuric acid, dichloro-
    • ACL 70
    • CDB 60
    • Kyselina dichlorisokyanurova [Czech]
    • Kyselina dichlorisokyanurova
    • trion
    • Triclosene
    • 1,3-Dichloro-s-triazine-2,4,6-trione
    • Taharsept
    • sodium dichloro-s-triazine-2,4,6(1H,3H,5H)-trione
    • Dichlorostriazinetrione
    • Dicholoro-s-triazinetrione
    • Isocyanuric acid, dichloro
    • SCHEMBL166386
    • CHEMBL2111065
    • SCHEMBL12145618
    • 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
    • 1,3Dichlorostriazine2,4,6trione
    • CEJLBZWIKQJOAT-UHFFFAOYSA-N
    • DICHLOROISOCYANURIC ACID, DRY
    • Tox21_302395
    • AKOS006227853
    • USEPA/OPP Pesticide Code: 081401
    • NCGC00255350-01
    • BS-43824
    • CAS-2782-57-2
    • Dichlorostriazine2,4,6(1H,3H,5H)trione
    • DB-047281
    • NS00013996
    • D08650
    • Q425286
    • SR-01000944881
    • sTriazine2,4,6(1H,3H,5H)trione, 1,3dichloro
    • SR-01000944881-1
    • BRD-K76375510-237-01-1
    • 1,3,5Triazine2,4,6(1H,3H,5H)trione, 1,3dichloro
    • S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, DICHLORO-
    • 1,3-DICHLORO-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
    • 1,3-DICHLORO-S-TRIAZINE-2,4,6(1H,3H,5H)TRIONE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.25
    methanol 10.16
    isopropanol 3.72
    water 5.07
    ethyl acetate 7.2
    n-propanol 4.02
    acetone 13.97
    n-butanol 3.13
    acetonitrile 8.8
    DMF 121.87
    toluene 0.66
    isobutanol 2.83
    1,4-dioxane 8.19
    methyl acetate 10.69
    THF 25.39
    2-butanone 12.89
    n-pentanol 2.33
    sec-butanol 3.43
    n-hexane 0.2
    ethylene glycol 7.2
    NMP 163.94
    cyclohexane 0.13
    DMSO 173.93
    n-butyl acetate 6.6
    n-octanol 1.07
    chloroform 1.56
    n-propyl acetate 6.67
    acetic acid 7.27
    dichloromethane 2.81
    cyclohexanone 11.46
    propylene glycol 6.19
    isopropyl acetate 4.67
    DMAc 171.28
    2-ethoxyethanol 15.38
    isopentanol 2.57
    n-heptane 0.24
    ethyl formate 10.47
    1,2-dichloroethane 2.79
    n-hexanol 1.73
    2-methoxyethanol 30.86
    isobutyl acetate 2.76
    tetrachloromethane 0.33
    n-pentyl acetate 2.92
    transcutol 12.86
    n-heptanol 1.26
    ethylbenzene 0.63
    MIBK 4.66
    2-propoxyethanol 16.77
    tert-butanol 3.97
    MTBE 2.81
    2-butoxyethanol 7.31
    propionic acid 7.14
    o-xylene 0.94
    formic acid 11.66
    diethyl ether 3.08
    m-xylene 0.73
    p-xylene 1.0
    chlorobenzene 0.65
    dimethyl carbonate 13.84
    n-octane 0.09
    formamide 29.08
    cyclopentanone 23.81
    2-pentanone 8.73
    anisole 3.21
    cyclopentyl methyl ether 5.95
    gamma-butyrolactone 35.58
    1-methoxy-2-propanol 23.12
    pyridine 7.09
    3-pentanone 7.85
    furfural 31.26
    n-dodecane 0.09
    diethylene glycol 19.89
    diisopropyl ether 0.85
    tert-amyl alcohol 3.81
    acetylacetone 11.68
    n-hexadecane 0.1
    acetophenone 6.52
    methyl propionate 13.73
    isopentyl acetate 4.42
    trichloroethylene 3.34
    n-nonanol 1.08
    cyclohexanol 2.19
    benzyl alcohol 3.38
    2-ethylhexanol 1.52
    isooctanol 1.07
    dipropyl ether 3.66
    1,2-dichlorobenzene 0.85
    ethyl lactate 9.71
    propylene carbonate 18.76
    n-methylformamide 36.6
    2-pentanol 1.98
    n-pentane 0.16
    1-propoxy-2-propanol 11.38
    1-methoxy-2-propyl acetate 12.21
    2-(2-methoxypropoxy) propanol 9.74
    mesitylene 0.55
    ε-caprolactone 13.09
    p-cymene 0.85
    epichlorohydrin 17.53
    1,1,1-trichloroethane 1.16
    2-aminoethanol 7.94
    morpholine-4-carbaldehyde 61.82
    sulfolane 66.01
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 9.46
    n-hexyl acetate 2.57
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 8.49
    sec-butyl acetate 3.56
    tert-butyl acetate 4.56
    decalin 0.12
    glycerin 13.46
    diglyme 18.65
    acrylic acid 8.15
    isopropyl myristate 1.46
    n-butyric acid 6.42
    acetyl acetate 4.11
    di(2-ethylhexyl) phthalate 2.4
    ethyl propionate 8.47
    nitromethane 30.83
    1,2-diethoxyethane 4.47
    benzonitrile 3.6
    trioctyl phosphate 1.98
    1-bromopropane 1.39
    gamma-valerolactone 40.51
    n-decanol 0.91
    triethyl phosphate 5.67
    4-methyl-2-pentanol 1.18
    propionitrile 6.88
    vinylene carbonate 13.32
    1,1,2-trichlorotrifluoroethane 18.63
    DMS 5.88
    cumene 0.58
    2-octanol 0.83
    2-hexanone 6.53
    octyl acetate 1.89
    limonene 1.1
    1,2-dimethoxyethane 32.25
    ethyl orthosilicate 4.06
    tributyl phosphate 2.68
    diacetone alcohol 10.32
    N,N-dimethylaniline 4.25
    acrylonitrile 11.01
    aniline 2.36
    1,3-propanediol 8.92
    bromobenzene 0.46
    dibromomethane 1.6
    1,1,2,2-tetrachloroethane 3.58
    2-methyl-cyclohexyl acetate 4.35
    tetrabutyl urea 5.9
    diisobutyl methanol 1.06
    2-phenylethanol 3.07
    styrene 0.64
    dioctyl adipate 3.13
    dimethyl sulfate 36.36
    ethyl butyrate 7.45
    methyl lactate 19.32
    butyl lactate 5.97
    diethyl carbonate 6.38
    propanediol butyl ether 6.08
    triethyl orthoformate 5.82
    p-tert-butyltoluene 0.8
    methyl 4-tert-butylbenzoate 5.97
    morpholine 15.06
    tert-butylamine 1.7
    n-dodecanol 0.75
    dimethoxymethane 36.07
    ethylene carbonate 10.98
    cyrene 18.52
    2-ethoxyethyl acetate 4.99
    2-ethylhexyl acetate 3.64
    1,2,4-trichlorobenzene 1.37
    4-methylpyridine 7.43
    dibutyl ether 1.44
    2,6-dimethyl-4-heptanol 1.06
    DEF 27.5
    dimethyl isosorbide 20.18
    tetrachloroethylene 1.72
    eugenol 7.22
    triacetin 4.78
    span 80 5.18
    1,4-butanediol 4.34
    1,1-dichloroethane 1.48
    2-methyl-1-pentanol 2.02
    methyl formate 23.88
    2-methyl-1-butanol 2.8
    n-decane 0.12
    butyronitrile 5.15
    3,7-dimethyl-1-octanol 1.08
    1-chlorooctane 0.38
    1-chlorotetradecane 0.24
    n-nonane 0.11
    undecane 0.1
    tert-butylcyclohexane 0.11
    cyclooctane 0.07
    cyclopentanol 4.74
    tetrahydropyran 4.04
    tert-amyl methyl ether 3.41
    2,5,8-trioxanonane 14.83
    1-hexene 0.65
    2-isopropoxyethanol 8.36
    2,2,2-trifluoroethanol 8.16
    methyl butyrate 11.65

    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