Dechlorane Plus

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  • Identifiers

    CAS number
    13560-89-9

    Molecular formula
    C18H12Cl12

    SMILES
    C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl

  • Odor profile

    Fragrance
    Odorless 49.85%
    Woody 39.41%
    Dry 19.41%
    Balsamic 19.26%
    Amber 19.04%
    Sweet 17.28%
    Animal 16.8%
    Clean 15.82%
    Earthy 15.7%
    Sandalwood 15.25%

     

    Flavor
    Bitter 59.37%
    Odorless 27.95%
    Sweet-like 20.06%
    Nitrile 19.02%
    Oriental 18.19%
    Cedarleaf 18.12%
    Rotten 18.07%
    Alkaline 17.94%
    Very strong 17.85%
    Bouillon 17.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    3.03 (weak acid)

    Molecular weight
    653.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    516°C

    Melting point expt.

    • >325 °C

    Flash point

    • 119.86 ˚C est.

    Solubility expt.

    • In water, 4.4X10-8 mg/L
    • Soluble in o-dichlorobenzene
    • Solubility in g/100 g: benzene (2.0), xylene (1.0), styrene (1.8), trichloroethylene (1.4), methylethylketone (0.7), n-butyl acetate (0.7), hexane (0.1), methyl alcohol (0.1) (all at 25 °C)

  • Synonyms

    • Dechlorane plus
    • Dechlorane A
    • 13560-89-9
    • Escapeflam DK-15
    • Dechlorane Plus 25
    • Dechlorane Plus 35
    • Dechlorane Plus 515
    • Dechlorane Plus 1000
    • Dechlorane Plus 2520
    • Dechlorane 605
    • HSDB 7450
    • EINECS 236-948-9
    • Bis(hexachlorocyclopentadieno)cyclooctane
    • BRN 2195908
    • UNII-193G0ER097
    • AI3-27889
    • Dodecachlorododecahydrodimethanodibenzocyclooctane
    • 1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
    • DTXSID7027750
    • EC 236-948-9
    • Dechloran A
    • 4-05-00-01783 (Beilstein Handbook Reference)
    • 1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo(12.2.1.16,9.02,13.05,10)octadeca-7,15-diene
    • 1,4:7,10-Dimethanodibenzo(a,e)cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-
    • 1,4:7,10-Dimethanodibenzo[a,e]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-
    • DECHLORANE PLUS SYN
    • 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene
    • DECHLORANE PLUS [MI]
    • SCHEMBL523778
    • DECHLORANE PLUS [HSDB]
    • DTXCID607750
    • UGQQAJOWXNCOPY-UHFFFAOYSA-N
    • 193G0ER097
    • FD20864
    • 1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e]cyclooctene
    • 1,4:7,10-Dimethanodibenzo(a,e)cyclooctane, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-
    • NS00004487
    • Q5249126
    • 1,4:7,10Dimethanodibenzo(a,e)cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14dodecachloro1,4,4a,5,6,6a,7,10,10a,11,12,12adodecahydro
    • 236-948-9
    • Dechlorane plus = 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4,7,10-dimethanodibenzo[a,e]cyclooctene

  • Applications

    Dechlorane Plus (CAS 13560-89-9) is a halogenated flame retardant used as an additive in polymers and plastics to improve fire performance; it is commonly incorporated into electrical and electronic equipment housings and cable insulation, into coatings and inks to enhance flame retardancy, into textiles for flame-retardant finishing, into adhesives and sealants to impart fire resistance, into construction materials and foams, and into automotive interior plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.01
    methanol 0.78
    isopropanol 0.68
    water 0.0
    ethyl acetate 3.56
    n-propanol 1.27
    acetone 2.84
    n-butanol 1.21
    acetonitrile 0.9
    DMF 11.29
    toluene 6.99
    isobutanol 1.05
    1,4-dioxane 8.08
    methyl acetate 2.83
    THF 22.74
    2-butanone 4.33
    n-pentanol 1.52
    sec-butanol 0.92
    n-hexane 0.32
    ethylene glycol 0.4
    NMP 29.88
    cyclohexane 0.54
    DMSO 3.16
    n-butyl acetate 6.29
    n-octanol 1.64
    chloroform 14.17
    n-propyl acetate 4.29
    acetic acid 1.65
    dichloromethane 12.1
    cyclohexanone 12.13
    propylene glycol 0.55
    isopropyl acetate 4.23
    DMAc 13.7
    2-ethoxyethanol 3.57
    isopentanol 1.26
    n-heptane 0.62
    ethyl formate 2.21
    1,2-dichloroethane 5.73
    n-hexanol 2.36
    2-methoxyethanol 4.01
    isobutyl acetate 3.96
    tetrachloromethane 2.39
    n-pentyl acetate 7.9
    transcutol 6.56
    n-heptanol 2.2
    ethylbenzene 3.35
    MIBK 4.44
    2-propoxyethanol 7.95
    tert-butanol 0.81
    MTBE 1.91
    2-butoxyethanol 5.86
    propionic acid 1.55
    o-xylene 4.11
    formic acid 0.86
    diethyl ether 2.56
    m-xylene 4.99
    p-xylene 4.25
    chlorobenzene 6.92
    dimethyl carbonate 4.73
    n-octane 0.38
    formamide 1.55
    cyclopentanone 19.29
    2-pentanone 5.03
    anisole 6.01
    cyclopentyl methyl ether 11.68
    gamma-butyrolactone 17.99
    1-methoxy-2-propanol 4.17
    pyridine 12.83
    3-pentanone 4.49
    furfural 15.98
    n-dodecane 0.28
    diethylene glycol 3.74
    diisopropyl ether 1.35
    tert-amyl alcohol 1.1
    acetylacetone 6.97
    n-hexadecane 0.34
    acetophenone 8.07
    methyl propionate 5.07
    isopentyl acetate 6.44
    trichloroethylene 17.84
    n-nonanol 2.11
    cyclohexanol 2.37
    benzyl alcohol 4.58
    2-ethylhexanol 2.67
    isooctanol 2.15
    dipropyl ether 4.07
    1,2-dichlorobenzene 6.96
    ethyl lactate 2.91
    propylene carbonate 8.94
    n-methylformamide 3.4
    2-pentanol 1.05
    n-pentane 0.3
    1-propoxy-2-propanol 6.81
    1-methoxy-2-propyl acetate 10.57
    2-(2-methoxypropoxy) propanol 6.24
    mesitylene 2.91
    ε-caprolactone 12.12
    p-cymene 4.05
    epichlorohydrin 17.88
    1,1,1-trichloroethane 5.85
    2-aminoethanol 0.86
    morpholine-4-carbaldehyde 19.48
    sulfolane 20.17
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 11.0
    n-hexyl acetate 6.45
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 6.31
    sec-butyl acetate 4.07
    tert-butyl acetate 5.64
    decalin 0.64
    glycerin 1.22
    diglyme 10.81
    acrylic acid 1.85
    isopropyl myristate 3.65
    n-butyric acid 2.49
    acetyl acetate 3.02
    di(2-ethylhexyl) phthalate 5.1
    ethyl propionate 4.26
    nitromethane 3.26
    1,2-diethoxyethane 5.73
    benzonitrile 5.39
    trioctyl phosphate 3.24
    1-bromopropane 3.52
    gamma-valerolactone 23.74
    n-decanol 1.62
    triethyl phosphate 3.76
    4-methyl-2-pentanol 1.07
    propionitrile 1.69
    vinylene carbonate 8.03
    1,1,2-trichlorotrifluoroethane 12.17
    DMS 6.86
    cumene 2.48
    2-octanol 1.75
    2-hexanone 4.82
    octyl acetate 4.21
    limonene 4.74
    1,2-dimethoxyethane 7.39
    ethyl orthosilicate 4.09
    tributyl phosphate 3.25
    diacetone alcohol 5.3
    N,N-dimethylaniline 6.33
    acrylonitrile 2.49
    aniline 5.17
    1,3-propanediol 1.2
    bromobenzene 8.75
    dibromomethane 7.25
    1,1,2,2-tetrachloroethane 11.45
    2-methyl-cyclohexyl acetate 8.01
    tetrabutyl urea 6.28
    diisobutyl methanol 1.92
    2-phenylethanol 7.3
    styrene 3.67
    dioctyl adipate 5.43
    dimethyl sulfate 7.69
    ethyl butyrate 5.4
    methyl lactate 3.63
    butyl lactate 5.99
    diethyl carbonate 3.41
    propanediol butyl ether 3.41
    triethyl orthoformate 5.52
    p-tert-butyltoluene 3.98
    methyl 4-tert-butylbenzoate 10.8
    morpholine 9.76
    tert-butylamine 0.63
    n-dodecanol 1.23
    dimethoxymethane 9.29
    ethylene carbonate 5.93
    cyrene 11.87
    2-ethoxyethyl acetate 9.78
    2-ethylhexyl acetate 6.83
    1,2,4-trichlorobenzene 10.21
    4-methylpyridine 11.07
    dibutyl ether 2.69
    2,6-dimethyl-4-heptanol 1.92
    DEF 8.59
    dimethyl isosorbide 19.89
    tetrachloroethylene 8.56
    eugenol 10.46
    triacetin 7.16
    span 80 6.04
    1,4-butanediol 0.78
    1,1-dichloroethane 4.2
    2-methyl-1-pentanol 1.65
    methyl formate 3.12
    2-methyl-1-butanol 1.34
    n-decane 0.5
    butyronitrile 1.9
    3,7-dimethyl-1-octanol 2.0
    1-chlorooctane 1.82
    1-chlorotetradecane 0.9
    n-nonane 0.41
    undecane 0.36
    tert-butylcyclohexane 0.53
    cyclooctane 0.39
    cyclopentanol 3.49
    tetrahydropyran 6.97
    tert-amyl methyl ether 2.75
    2,5,8-trioxanonane 8.94
    1-hexene 1.22
    2-isopropoxyethanol 3.15
    2,2,2-trifluoroethanol 1.34
    methyl butyrate 5.09

    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