Symclosene

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  • Identifiers

    CAS number
    87-90-1

    Molecular formula
    C3Cl3N3O3

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

    Safety labels

    Oxidizer
    Oxidizer

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 76.31%
    Bitter 24.48%
    Burnt 18.79%
    Pungent 14.72%
    Sharp 13.09%
    Sour 11.33%
    Musty 10.63%
    Phenolic 10.59%
    Cooked 10.51%
    Animal 10.38%

     

    Flavor
    Bitter 83.1%
    Odorless 44.88%
    Nitrile 20.64%
    Mild 19.87%
    Bread crust 19.71%
    Formyl 19.42%
    Rotten 19.36%
    Bland 19.13%
    Sweet-like 19.09%
    Very strong 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    2.85 (strong acid)

    Molecular weight
    232.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    160°C

    Melting point expt.

    • 246.7 °C (decomposes)

    Flash point

    • 220.58 ˚C est.
    • > 250 °C (482 °F ) open cup

    Solubility expt.

    • Soluble in chlorinated and highly polar solvents
    • Solubility in water at 25 °C = 1 g/100 g; Solubility in acetone at 30 °C = 35.0 g/100 g
    • Water solubility = 1.2% = 1.20X10+4 mg/L at 25 °C
    • Solubility in water, g/100ml at 25 °C: 1.2

  • Synonyms

    • TRICHLOROISOCYANURIC ACID
    • Symclosene
    • 87-90-1
    • Trichlorocyanuric acid
    • Symclosen
    • 1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione
    • Trichloro-s-triazinetrione
    • Fichlor 91
    • Isocyanuric chloride
    • Trichloroisocyanic acid
    • Chloreal
    • Fi Clor 91
    • Neochlor 90
    • 1,3,5-Trichloroisocyanuric acid
    • Sincloseno
    • NSC-405124
    • ACL 85
    • Symclosenum
    • Kyselina trichloisokyanurova
    • Trichlorisocyanursaeure
    • Caswell No. 876B
    • CBD 90
    • Symclosene [USAN:INN]
    • Symclosenum [INN-Latin]
    • Trichloroiminocyanuric acid
    • Sincloseno [INN-Spanish]
    • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
    • 1,3,5-Trichloro-s-triazinetrione
    • N,N',N''-Trichloroisocyanuric acid
    • ACL 90 plus
    • CCRIS 2311
    • CDB 90
    • HSDB 885
    • NSC 405124
    • Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione
    • Kyselina trichloisokyanurova [Czech]
    • EINECS 201-782-8
    • RL3HK1I66B
    • UN2468
    • 1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione
    • EPA Pesticide Chemical Code 081405
    • BRN 0202022
    • 1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine
    • DTXSID2026523
    • AI3-17193
    • SYMCLOSENE [INN]
    • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
    • SYMCLOSENE [HSDB]
    • SYMCLOSENE [USAN]
    • 1,3,5-Trichloro-2,4,6-triazinetrione
    • Trichloroisocyanuric acid, dry
    • DTXCID406523
    • Trichloro-s-triazinetrione, dry
    • CHEBI:33015
    • 1,3,5-Triazine, 2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
    • 4-26-00-00642 (Beilstein Handbook Reference)
    • Kyselina trichloisokyanurova (CZECH)
    • NSC405124
    • TRICHLOROISOCYANURIC ACID [MI]
    • NCGC00164344-01
    • 1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
    • trichloro-1,3,5-triazinane-2,4,6-trione
    • Symclosenum (INN-Latin)
    • Sincloseno (INN-Spanish)
    • Trichloroisocyanurate
    • CAS-87-90-1
    • TRICHLOROISOCYANURIC ACID, (DRY)
    • TRICHLOROISOCYANURIC ACID, [DRY]
    • TCCA
    • Hi-Lite 90
    • Hi-Lite 90G
    • MFCD00006553
    • UNII-RL3HK1I66B
    • Queschlor
    • TRICHLORO-S-TRIAZINETRIONE (TRICHLOROISOCYANURIC ACID)
    • TRICHLORO-S-TRIAZINETRIONE {TRICHLOROISOCYANURIC ACID}
    • ACL 90
    • TRICHLORO-S-TRIAZINETRIONE, (DRY, CONTAINING > 39% AVAILABLE CHLORINE)
    • TRICHLORO-S-TRIAZINETRIONE, [DRY, CONTAINING > 39% AVAILABLE CHLORINE]
    • TCICA
    • Trichlorostriazinetrione
    • Trichioroisocyanuric acid
    • Acido tricloroisocianurico
    • Symclosene (USAN/INN)
    • trichloro isocyanuric acid
    • trichloroiso-cyanuric acid
    • Trichloro-isocyanuric acid
    • N-Trichloroisocyanuric acid
    • SCHEMBL21090
    • 1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione
    • 1,3,5Trichlorostriazinetrione
    • 1,5-Trichloroisocyanuric acid
    • 1,3,5Trichloroisocyanuric acid
    • 1,5-Trichloro-s-triazinetrione
    • CHEMBL1698868
    • N,N''-Trichloroisocyanuric acid
    • Trichloro-1,3,5-triazinetrione
    • N,N',N"Trichloroisocyanuric acid
    • WLN: T6NVNVNVJ AG CG EG
    • HMS3264B17
    • Pharmakon1600-01506189
    • 1,3, 5-Trichloro-s-triazinetrione
    • Acido tricloroisocianurico (Spanish)
    • Tox21_112103
    • Tox21_300858
    • TRICHLOROIMINOISOCYANURIC ACID
    • NSC760417
    • AKOS015909996
    • Tox21_112103_1
    • CCG-213634
    • NA 2468
    • NSC-760417
    • Trichloro-s-triazinetrione, dry (DOT)
    • UN 2468
    • USEPA/OPP Pesticide Code: 081405
    • 1,3,5-Trichloro-1,3,5-triazinetrione
    • NCGC00164344-02
    • NCGC00164344-03
    • NCGC00164344-04
    • NCGC00254761-01
    • BS-42202
    • DB-002365
    • Trichlorostriazine2,4,6(1H,3H,5H)trione
    • 1,3,5-Trichloro-S-triazine-2,4,6-trione
    • 1,3,5Trichloro2,4,6trioxohexahydrostriazine
    • NS00004681
    • T0620
    • Trichloro-s-triazine-2,6(1H,3H,5H)-trione

  • Applications

    Symclosene, CAS 87-90-1, is typically viewed as an organic synthesis intermediate and may function as a solvent, stabilizer, or processing aid in a range of formulations; potential applications include fragrance and cosmetics, personal care and household products, coatings and inks, polymers and plastics, as well as industrial manufacturing and surface treatment, depending on formulation limits and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.7
    methanol 16.44
    isopropanol 8.95
    water 9.74
    ethyl acetate 17.2
    n-propanol 9.35
    acetone 21.21
    n-butanol 6.82
    acetonitrile 26.38
    DMF 93.07
    toluene 3.31
    isobutanol 7.28
    1,4-dioxane 16.29
    methyl acetate 22.33
    THF 42.46
    2-butanone 21.91
    n-pentanol 5.6
    sec-butanol 8.72
    n-hexane 1.15
    ethylene glycol 10.29
    NMP 138.46
    cyclohexane 1.27
    DMSO 101.76
    n-butyl acetate 14.56
    n-octanol 3.75
    chloroform 9.52
    n-propyl acetate 13.85
    acetic acid 13.52
    dichloromethane 12.13
    cyclohexanone 20.63
    propylene glycol 8.62
    isopropyl acetate 11.48
    DMAc 145.36
    2-ethoxyethanol 20.11
    isopentanol 5.81
    n-heptane 1.8
    ethyl formate 17.13
    1,2-dichloroethane 9.04
    n-hexanol 6.42
    2-methoxyethanol 35.32
    isobutyl acetate 7.03
    tetrachloromethane 2.41
    n-pentyl acetate 7.3
    transcutol 16.68
    n-heptanol 4.14
    ethylbenzene 2.61
    MIBK 9.58
    2-propoxyethanol 25.31
    tert-butanol 10.12
    MTBE 8.31
    2-butoxyethanol 12.55
    propionic acid 13.65
    o-xylene 3.9
    formic acid 18.06
    diethyl ether 11.53
    m-xylene 3.1
    p-xylene 3.59
    chlorobenzene 2.75
    dimethyl carbonate 23.45
    n-octane 0.74
    formamide 36.13
    cyclopentanone 34.49
    2-pentanone 16.26
    anisole 7.6
    cyclopentyl methyl ether 17.82
    gamma-butyrolactone 48.56
    1-methoxy-2-propanol 27.71
    pyridine 17.11
    3-pentanone 17.13
    furfural 35.23
    n-dodecane 0.56
    diethylene glycol 24.3
    diisopropyl ether 3.57
    tert-amyl alcohol 9.31
    acetylacetone 17.89
    n-hexadecane 0.61
    acetophenone 12.46
    methyl propionate 25.93
    isopentyl acetate 10.11
    trichloroethylene 10.88
    n-nonanol 3.72
    cyclohexanol 7.27
    benzyl alcohol 7.19
    2-ethylhexanol 5.19
    isooctanol 3.41
    dipropyl ether 10.91
    1,2-dichlorobenzene 3.28
    ethyl lactate 14.43
    propylene carbonate 27.53
    n-methylformamide 39.0
    2-pentanol 5.57
    n-pentane 1.29
    1-propoxy-2-propanol 19.01
    1-methoxy-2-propyl acetate 20.66
    2-(2-methoxypropoxy) propanol 13.1
    mesitylene 2.4
    ε-caprolactone 22.39
    p-cymene 3.67
    epichlorohydrin 27.09
    1,1,1-trichloroethane 5.57
    2-aminoethanol 12.69
    morpholine-4-carbaldehyde 63.68
    sulfolane 62.14
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 23.49
    n-hexyl acetate 6.73
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 12.18
    sec-butyl acetate 8.56
    tert-butyl acetate 10.39
    decalin 0.69
    glycerin 16.25
    diglyme 24.53
    acrylic acid 14.79
    isopropyl myristate 3.66
    n-butyric acid 12.21
    acetyl acetate 9.76
    di(2-ethylhexyl) phthalate 4.66
    ethyl propionate 16.71
    nitromethane 37.85
    1,2-diethoxyethane 9.71
    benzonitrile 9.51
    trioctyl phosphate 4.22
    1-bromopropane 6.53
    gamma-valerolactone 41.35
    n-decanol 3.06
    triethyl phosphate 11.56
    4-methyl-2-pentanol 3.5
    propionitrile 18.2
    vinylene carbonate 21.3
    1,1,2-trichlorotrifluoroethane 26.81
    DMS 11.57
    cumene 2.24
    2-octanol 3.07
    2-hexanone 12.07
    octyl acetate 4.69
    limonene 4.59
    1,2-dimethoxyethane 38.68
    ethyl orthosilicate 9.69
    tributyl phosphate 5.24
    diacetone alcohol 15.74
    N,N-dimethylaniline 10.29
    acrylonitrile 23.59
    aniline 7.63
    1,3-propanediol 11.51
    bromobenzene 2.17
    dibromomethane 8.67
    1,1,2,2-tetrachloroethane 11.96
    2-methyl-cyclohexyl acetate 10.25
    tetrabutyl urea 9.61
    diisobutyl methanol 3.54
    2-phenylethanol 8.3
    styrene 2.48
    dioctyl adipate 6.04
    dimethyl sulfate 43.43
    ethyl butyrate 15.6
    methyl lactate 22.7
    butyl lactate 9.41
    diethyl carbonate 13.05
    propanediol butyl ether 8.91
    triethyl orthoformate 12.89
    p-tert-butyltoluene 3.49
    methyl 4-tert-butylbenzoate 10.36
    morpholine 26.67
    tert-butylamine 6.29
    n-dodecanol 2.51
    dimethoxymethane 47.89
    ethylene carbonate 18.79
    cyrene 23.79
    2-ethoxyethyl acetate 10.15
    2-ethylhexyl acetate 8.8
    1,2,4-trichlorobenzene 4.79
    4-methylpyridine 16.24
    dibutyl ether 4.67
    2,6-dimethyl-4-heptanol 3.54
    DEF 37.6
    dimethyl isosorbide 26.75
    tetrachloroethylene 6.91
    eugenol 12.11
    triacetin 9.01
    span 80 8.1
    1,4-butanediol 6.49
    1,1-dichloroethane 7.03
    2-methyl-1-pentanol 4.77
    methyl formate 27.98
    2-methyl-1-butanol 6.62
    n-decane 0.85
    butyronitrile 13.72
    3,7-dimethyl-1-octanol 3.56
    1-chlorooctane 2.09
    1-chlorotetradecane 1.14
    n-nonane 0.84
    undecane 0.68
    tert-butylcyclohexane 0.65
    cyclooctane 0.64
    cyclopentanol 13.05
    tetrahydropyran 12.41
    tert-amyl methyl ether 9.7
    2,5,8-trioxanonane 18.3
    1-hexene 2.97
    2-isopropoxyethanol 13.52
    2,2,2-trifluoroethanol 15.83
    methyl butyrate 19.99

    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