Chlordane, technical

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  • Identifiers

    CAS number
    12789-03-6

    Molecular formula
    C10H6Cl8

    SMILES
    C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 56.43%
    Woody 32.38%
    Balsamic 17.46%
    Animal 16.2%
    Burnt 15.95%
    Dry 15.91%
    Spicy 15.65%
    Earthy 15.64%
    Sweet 15.36%
    Fishy 14.99%

     

    Flavor
    Bitter 54.63%
    Odorless 29.54%
    Sweet-like 20.41%
    Nitrile 19.02%
    Oriental 18.22%
    Rotten 18.05%
    Bouillon 18.04%
    Cedarleaf 17.97%
    Alkaline 17.95%
    Bloody 17.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    4.33 (weak acid)

    Molecular weight
    409.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • at 0.27kPa: 175 °C

    Flash point

    • 117.14 ˚C est.

    Solubility expt.

    • Solubility in water: none

  • Synonyms

    • chlordane
    • 12789-03-6
    • Toxichlor
    • Technical chlordane
    • Chlordan
    • Chlorindan
    • Octachlor
    • cis-Chlordane
    • Chlordane, technical
    • 57-74-9
    • trans-Chlordane
    • Kypchlor
    • Ortho-Klor
    • DTXSID7020267
    • 1,3,4,7,8,9,10,10-Octachlorotricyclo[5.2.1.02,6]dec-8-ene
    • Chlorodane
    • Chlordane, technical grade
    • CHEBI:34623
    • Octachloro-4,7-methanotetrahydroindane
    • 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene
    • 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-
    • ALPHA-CHLORDANE
    • Chlor Kil
    • 33442-85-2
    • beta-Chlordane
    • cis-Chlordan
    • Chlor kill
    • .gamma.-Chlordan
    • Caswell No. 174E
    • Photochlordane
    • 1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane
    • 1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene
    • 5103-74-2
    • cis-Photochlordane
    • Chlordane-technical
    • CCRIS 854
    • 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-Methano-1H-indene
    • Chlordane (technical grade)
    • DTXCID0028117
    • NSC8931
    • Octachloro-4,7-methanohydroindane
    • ENT-9932
    • HCS-3260
    • NSC-8931
    • Chlordane (mixture of isomers)
    • DTXSID5023954
    • Chlordane, liquid
    • 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1.alpha.,2.alpha.,3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
    • 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1.alpha.,2.beta.,3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
    • 5103-71-9
    • CID 45356234
    • DSSTox_CID_28117
    • DSSTox_RID_77241
    • DSSTox_GSID_23954
    • SCHEMBL75811
    • CHEMBL196537
    • GTPL2831
    • 1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan
    • SCHEMBL21186621
    • ENT-25,552-x
    • Tox21_200290
    • Tox21_300586
    • BDBM50410490
    • ENT-9,932
    • MSK20320-100E
    • CAS-57-74-9
    • NCGC00091433-01
    • NCGC00091433-03
    • NCGC00254266-01
    • NCGC00257844-01
    • CAS-12789-03-6
    • DB-053095
    • DB-225892
    • NS00002760
    • Chlordane Solution in Ethyl acetate, 100ug/mL
    • Q417134
    • WLN: L C555 A IUTJ AG AG BG DG EG HG IG JG
    • 4, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-
    • 1,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-methanoindan
    • 4, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-
    • 1,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane
    • 1,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan
    • 1,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan
    • 1,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan
    • 1,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene
    • 1,4,5,6,7,8,8-Octachloro-3a,4,7,7a-hexahydro-4,7-methylene indane
    • 1,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane
    • 1,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane
    • 1,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano
    • 1,5:2,4-Dimethanopentalene, 1,2,5,6,6,6a,7,8-octachlorooctahydro-, (1alpha,2alpha,3aalpha,4beta,5alpha,6aalpha,7R*,8R*)-
    • 1,5:2,4-Dimethanopentalene, 1,2,5,6,6,6a,7,8-octachlorooctahydro-, (1R,2S,3aS,4S,5R,6aS,7R,8R)-rel-
    • 687-155-3

  • Applications

    Chlordane, technical (CAS number: 12789-03-6) is a persistent organochlorine insecticide historically used in agriculture as a soil-applied pest-control agent, in termite control for foundations and building structures, and in wood-preservation formulations to protect lumber from insects and decay; it has also been employed in structural pest control products for homes and other buildings, though its use is now severely restricted or cancelled in many jurisdictions due to environmental persistence and toxicity concerns.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.18
    methanol 10.08
    isopropanol 6.51
    water 0.13
    ethyl acetate 26.9
    n-propanol 9.74
    acetone 28.19
    n-butanol 10.42
    acetonitrile 12.42
    DMF 97.18
    toluene 37.29
    isobutanol 8.89
    1,4-dioxane 49.72
    methyl acetate 23.71
    THF 91.25
    2-butanone 29.6
    n-pentanol 11.75
    sec-butanol 8.34
    n-hexane 1.83
    ethylene glycol 7.03
    NMP 123.11
    cyclohexane 3.18
    DMSO 37.19
    n-butyl acetate 33.46
    n-octanol 14.3
    chloroform 59.19
    n-propyl acetate 25.18
    acetic acid 12.13
    dichloromethane 49.85
    cyclohexanone 60.88
    propylene glycol 6.31
    isopropyl acetate 27.46
    DMAc 81.87
    2-ethoxyethanol 28.45
    isopentanol 11.76
    n-heptane 4.48
    ethyl formate 19.09
    1,2-dichloroethane 32.0
    n-hexanol 20.5
    2-methoxyethanol 42.9
    isobutyl acetate 21.93
    tetrachloromethane 13.35
    n-pentyl acetate 34.09
    transcutol 60.13
    n-heptanol 16.86
    ethylbenzene 20.26
    MIBK 32.1
    2-propoxyethanol 54.6
    tert-butanol 8.94
    MTBE 15.13
    2-butoxyethanol 36.39
    propionic acid 11.77
    o-xylene 29.53
    formic acid 9.1
    diethyl ether 20.82
    m-xylene 33.45
    p-xylene 24.45
    chlorobenzene 37.42
    dimethyl carbonate 34.65
    n-octane 2.49
    formamide 16.13
    cyclopentanone 80.21
    2-pentanone 33.86
    anisole 39.97
    cyclopentyl methyl ether 51.98
    gamma-butyrolactone 76.05
    1-methoxy-2-propanol 37.22
    pyridine 57.29
    3-pentanone 33.15
    furfural 96.92
    n-dodecane 2.2
    diethylene glycol 42.18
    diisopropyl ether 11.65
    tert-amyl alcohol 10.49
    acetylacetone 57.53
    n-hexadecane 2.62
    acetophenone 49.58
    methyl propionate 33.5
    isopentyl acetate 34.72
    trichloroethylene 82.58
    n-nonanol 16.14
    cyclohexanol 17.37
    benzyl alcohol 33.3
    2-ethylhexanol 20.5
    isooctanol 16.0
    dipropyl ether 25.93
    1,2-dichlorobenzene 40.27
    ethyl lactate 22.06
    propylene carbonate 44.78
    n-methylformamide 30.78
    2-pentanol 9.75
    n-pentane 2.37
    1-propoxy-2-propanol 42.83
    1-methoxy-2-propyl acetate 55.74
    2-(2-methoxypropoxy) propanol 42.61
    mesitylene 22.23
    ε-caprolactone 53.0
    p-cymene 25.36
    epichlorohydrin 76.74
    1,1,1-trichloroethane 33.17
    2-aminoethanol 9.67
    morpholine-4-carbaldehyde 118.1
    sulfolane 94.09
    2,2,4-trimethylpentane 2.21
    2-methyltetrahydrofuran 46.66
    n-hexyl acetate 33.83
    isooctane 2.19
    2-(2-butoxyethoxy)ethanol 43.41
    sec-butyl acetate 23.19
    tert-butyl acetate 35.87
    decalin 3.7
    glycerin 15.48
    diglyme 79.98
    acrylic acid 15.08
    isopropyl myristate 21.56
    n-butyric acid 17.69
    acetyl acetate 25.87
    di(2-ethylhexyl) phthalate 27.24
    ethyl propionate 27.81
    nitromethane 34.47
    1,2-diethoxyethane 34.39
    benzonitrile 41.15
    trioctyl phosphate 18.78
    1-bromopropane 18.64
    gamma-valerolactone 106.23
    n-decanol 13.03
    triethyl phosphate 22.35
    4-methyl-2-pentanol 10.8
    propionitrile 17.05
    vinylene carbonate 49.19
    1,1,2-trichlorotrifluoroethane 72.36
    DMS 37.96
    cumene 16.4
    2-octanol 14.23
    2-hexanone 29.64
    octyl acetate 24.23
    limonene 28.83
    1,2-dimethoxyethane 56.69
    ethyl orthosilicate 22.04
    tributyl phosphate 19.92
    diacetone alcohol 36.07
    N,N-dimethylaniline 37.78
    acrylonitrile 26.13
    aniline 33.7
    1,3-propanediol 13.39
    bromobenzene 41.18
    dibromomethane 31.78
    1,1,2,2-tetrachloroethane 58.03
    2-methyl-cyclohexyl acetate 37.93
    tetrabutyl urea 32.94
    diisobutyl methanol 15.98
    2-phenylethanol 47.83
    styrene 22.33
    dioctyl adipate 29.42
    dimethyl sulfate 51.09
    ethyl butyrate 31.8
    methyl lactate 30.09
    butyl lactate 30.84
    diethyl carbonate 21.84
    propanediol butyl ether 28.28
    triethyl orthoformate 28.3
    p-tert-butyltoluene 24.96
    methyl 4-tert-butylbenzoate 52.77
    morpholine 50.96
    tert-butylamine 6.64
    n-dodecanol 10.34
    dimethoxymethane 75.27
    ethylene carbonate 36.03
    cyrene 63.56
    2-ethoxyethyl acetate 45.62
    2-ethylhexyl acetate 32.3
    1,2,4-trichlorobenzene 52.75
    4-methylpyridine 58.83
    dibutyl ether 16.53
    2,6-dimethyl-4-heptanol 15.98
    DEF 52.03
    dimethyl isosorbide 97.3
    tetrachloroethylene 45.6
    eugenol 58.91
    triacetin 42.08
    span 80 36.31
    1,4-butanediol 8.61
    1,1-dichloroethane 23.67
    2-methyl-1-pentanol 13.15
    methyl formate 30.85
    2-methyl-1-butanol 11.52
    n-decane 3.46
    butyronitrile 17.81
    3,7-dimethyl-1-octanol 16.75
    1-chlorooctane 12.36
    1-chlorotetradecane 6.47
    n-nonane 2.87
    undecane 2.73
    tert-butylcyclohexane 3.58
    cyclooctane 2.36
    cyclopentanol 20.17
    tetrahydropyran 33.79
    tert-amyl methyl ether 20.23
    2,5,8-trioxanonane 63.79
    1-hexene 6.96
    2-isopropoxyethanol 24.9
    2,2,2-trifluoroethanol 13.09
    methyl butyrate 31.22

    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