1,8,9,10-Tetrachlorotricyclo[6.2.1.02,7]undec-9-ene

  • Identifiers

    Molecular formula
    C11H12Cl4

    SMILES
    C1CCC2C(C1)C3(CC2(C(=C3Cl)Cl)Cl)Cl

  • Odor profile

    Fragrance
    Woody 46.55%
    Odorless 35.71%
    Amber 24.57%
    Balsamic 23.55%
    Spicy 22.72%
    Dry 22.16%
    Animal 21.89%
    Sweet 21.4%
    Earthy 21.14%
    Sandalwood 20.09%

     

    Flavor
    Bitter 51.16%
    Odorless 21.61%
    Alkaline 20.16%
    Sweet-like 19.95%
    Nitrile 19.9%
    Oriental 19.19%
    Very strong 19.14%
    Rotten 19.06%
    Indole 19.05%
    Cedarleaf 18.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    4.09 (weak acid)

    Molecular weight
    286.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 126.41 ˚C est.

  • Synonyms

    • NSC18243
    • NSC-18243
  • Applications

    1,8,9,10-Tetrachlorotricyclo[6.2.1.02,7]undec-9-ene is typically used as a specialty chemical intermediate and building block in organic synthesis; in polymers and plastics it may act as a reactive monomer or crosslinking modifier to tailor material properties; in coatings and inks it can serve as a functional additive to adjust processing and performance; in electronics and advanced materials research it is evaluated as a scaffold for further functionalization; in industrial manufacturing it may be used as a processing aid or solvent for non-polar formulations; and in R&D contexts it is often used as a reference or model compound for chlorinated polycyclic frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.32
    methanol 13.92
    isopropanol 16.6
    water 0.09
    ethyl acetate 80.25
    n-propanol 21.11
    acetone 97.52
    n-butanol 25.74
    acetonitrile 31.54
    DMF 134.05
    toluene 146.81
    isobutanol 20.65
    1,4-dioxane 156.23
    methyl acetate 69.95
    THF 309.61
    2-butanone 79.95
    n-pentanol 21.06
    sec-butanol 18.34
    n-hexane 3.97
    ethylene glycol 6.58
    NMP 211.5
    cyclohexane 16.26
    DMSO 67.62
    n-butyl acetate 83.03
    n-octanol 21.36
    chloroform 286.19
    n-propyl acetate 58.84
    acetic acid 37.7
    dichloromethane 229.42
    cyclohexanone 186.91
    propylene glycol 8.47
    isopropyl acetate 75.14
    DMAc 116.21
    2-ethoxyethanol 38.29
    isopentanol 29.72
    n-heptane 8.14
    ethyl formate 48.51
    1,2-dichloroethane 126.39
    n-hexanol 36.82
    2-methoxyethanol 59.44
    isobutyl acetate 53.68
    tetrachloromethane 63.67
    n-pentyl acetate 71.99
    transcutol 109.91
    n-heptanol 28.38
    ethylbenzene 53.07
    MIBK 72.39
    2-propoxyethanol 77.62
    tert-butanol 25.63
    MTBE 41.89
    2-butoxyethanol 59.47
    propionic acid 27.82
    o-xylene 78.06
    formic acid 11.02
    diethyl ether 47.6
    m-xylene 90.17
    p-xylene 71.65
    chlorobenzene 163.18
    dimethyl carbonate 71.73
    n-octane 4.34
    formamide 23.82
    cyclopentanone 249.17
    2-pentanone 82.78
    anisole 102.12
    cyclopentyl methyl ether 128.63
    gamma-butyrolactone 236.7
    1-methoxy-2-propanol 54.12
    pyridine 199.48
    3-pentanone 72.35
    furfural 250.5
    n-dodecane 3.98
    diethylene glycol 50.43
    diisopropyl ether 26.85
    tert-amyl alcohol 23.07
    acetylacetone 146.15
    n-hexadecane 4.84
    acetophenone 112.41
    methyl propionate 76.72
    isopentyl acetate 86.04
    trichloroethylene 335.71
    n-nonanol 23.88
    cyclohexanol 52.72
    benzyl alcohol 75.72
    2-ethylhexanol 35.59
    isooctanol 27.78
    dipropyl ether 47.25
    1,2-dichlorobenzene 157.78
    ethyl lactate 34.11
    propylene carbonate 152.01
    n-methylformamide 46.41
    2-pentanol 21.17
    n-pentane 5.62
    1-propoxy-2-propanol 61.81
    1-methoxy-2-propyl acetate 118.18
    2-(2-methoxypropoxy) propanol 62.12
    mesitylene 56.63
    ε-caprolactone 158.57
    p-cymene 47.23
    epichlorohydrin 226.36
    1,1,1-trichloroethane 173.02
    2-aminoethanol 12.42
    morpholine-4-carbaldehyde 196.09
    sulfolane 224.94
    2,2,4-trimethylpentane 5.28
    2-methyltetrahydrofuran 155.31
    n-hexyl acetate 71.15
    isooctane 5.13
    2-(2-butoxyethoxy)ethanol 71.96
    sec-butyl acetate 51.91
    tert-butyl acetate 89.96
    decalin 11.12
    glycerin 17.74
    diglyme 145.11
    acrylic acid 33.18
    isopropyl myristate 39.14
    n-butyric acid 53.18
    acetyl acetate 88.96
    di(2-ethylhexyl) phthalate 47.92
    ethyl propionate 58.36
    nitromethane 90.18
    1,2-diethoxyethane 63.95
    benzonitrile 113.75
    trioctyl phosphate 33.42
    1-bromopropane 61.53
    gamma-valerolactone 282.78
    n-decanol 19.04
    triethyl phosphate 47.82
    4-methyl-2-pentanol 21.79
    propionitrile 37.44
    vinylene carbonate 146.34
    1,1,2-trichlorotrifluoroethane 144.87
    DMS 86.85
    cumene 36.4
    2-octanol 20.78
    2-hexanone 59.6
    octyl acetate 44.48
    limonene 56.35
    1,2-dimethoxyethane 93.67
    ethyl orthosilicate 45.43
    tributyl phosphate 36.42
    diacetone alcohol 74.89
    N,N-dimethylaniline 71.51
    acrylonitrile 55.54
    aniline 107.76
    1,3-propanediol 23.24
    bromobenzene 200.18
    dibromomethane 141.53
    1,1,2,2-tetrachloroethane 208.13
    2-methyl-cyclohexyl acetate 78.4
    tetrabutyl urea 51.34
    diisobutyl methanol 28.06
    2-phenylethanol 100.36
    styrene 69.25
    dioctyl adipate 56.92
    dimethyl sulfate 98.04
    ethyl butyrate 69.97
    methyl lactate 46.03
    butyl lactate 54.17
    diethyl carbonate 54.64
    propanediol butyl ether 40.97
    triethyl orthoformate 60.83
    p-tert-butyltoluene 45.89
    methyl 4-tert-butylbenzoate 99.66
    morpholine 135.77
    tert-butylamine 17.83
    n-dodecanol 15.52
    dimethoxymethane 114.17
    ethylene carbonate 114.21
    cyrene 106.36
    2-ethoxyethyl acetate 100.94
    2-ethylhexyl acetate 76.12
    1,2,4-trichlorobenzene 179.08
    4-methylpyridine 197.44
    dibutyl ether 32.79
    2,6-dimethyl-4-heptanol 28.06
    DEF 89.81
    dimethyl isosorbide 165.86
    tetrachloroethylene 163.55
    eugenol 92.43
    triacetin 85.74
    span 80 62.78
    1,4-butanediol 12.02
    1,1-dichloroethane 114.57
    2-methyl-1-pentanol 25.86
    methyl formate 56.64
    2-methyl-1-butanol 26.19
    n-decane 6.14
    butyronitrile 41.31
    3,7-dimethyl-1-octanol 28.11
    1-chlorooctane 24.62
    1-chlorotetradecane 12.7
    n-nonane 5.06
    undecane 4.84
    tert-butylcyclohexane 8.71
    cyclooctane 7.87
    cyclopentanol 58.49
    tetrahydropyran 128.85
    tert-amyl methyl ether 41.51
    2,5,8-trioxanonane 107.72
    1-hexene 14.98
    2-isopropoxyethanol 35.95
    2,2,2-trifluoroethanol 29.99
    methyl butyrate 68.83

    Scent© AI

1 of 4
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