Isodrin

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  • Identifiers

    CAS number
    465-73-6

    Molecular formula
    C12H8Cl6

    SMILES
    C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2[C@@]4(C(=C([C@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 47.3%
    Woody 36.83%
    Balsamic 19.83%
    Spicy 19.07%
    Earthy 17.31%
    Amber 17.09%
    Dry 16.83%
    Animal 16.74%
    Sweet 16.61%
    Burnt 15.55%

     

    Flavor
    Bitter 66.89%
    Odorless 25.42%
    Sweet-like 19.78%
    Nitrile 19.35%
    Cedarleaf 18.62%
    Oriental 18.37%
    Alkaline 18.16%
    Very strong 18.03%
    Rotten 18.03%
    Indole 17.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    2.1 (strong acid)

    Molecular weight
    364.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Melting point expt.

    • 464 to 468 °F (EPA, 1998)
    • 240-242 °C

    Flash point

    • 113.9 ˚C est.

  • Synonyms

    • ISODRIN
    • 465-73-6
    • Isodrin (insecticide)
    • Compound 711
    • Latka 711
    • RCRA waste number P060
    • Experimental insecticide 711
    • 7P1FV3GSTB
    • Isodrine [France]
    • ENT 19,244
    • SD 3418
    • SD-3418
    • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1R,4S,4aS,5R,8S,8aR)-rel-
    • Isodrine (France)
    • NSC-8936
    • (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
    • (1R,4S,5R,8S)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
    • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8 beta,8abeta)-
    • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-
    • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,endo-
    • RefChem:149298
    • 1,8,9,10,11,11-hexachlorotetracyclo(6.2.1.13,6.02,7)dodeca-4,9-diene
    • 207-366-2
    • (1R,2R,7S,8S)-1,8,9,10,11,11-Hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
    • 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-endo-endo-dimethanonaphthalene
    • 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo,endo-5,8-dimethanonaphthalene
    • (1S,2S,3R,6S,7R,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
    • Isodrin (VAN)
    • Isodrin [BSI]
    • Latka 711 [Czech]
    • UNII-7P1FV3GSTB
    • DTXSID7042065
    • HSDB 6049
    • NSC 8936
    • EINECS 207-366-2
    • BRN 3214094
    • Isodrine (>90%)
    • AI3-19244
    • RCRA waste no. P060
    • 4-05-00-01568 (Beilstein Handbook Reference)
    • SCHEMBL5933946
    • Isodrin 10 microg/mL in Cyclohexane
    • Isodrin 100 microg/mL in Isooctane
    • Isodrin 1000 microg/mL in n-Hexane
    • (1alpha,4alpha,4Abeta,5beta,8beta8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
    • (1R,4S,4aS,5R,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
    • Isodrine, PESTANAL(R), analytical standard
    • (1S,2S,3S,6S,7R,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
    • 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo,endo-dimethanonaphthalene
    • 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethano naphthalene
    • 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-endo-5,8-dimethanonaphthalene
    • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.)-
    • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo, endo-
    • rel-(1R,4S,4aS,5R,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
    • 465-73-6

  • Applications

    Isodrin (CAS 465-73-6) is an organochlorine insecticide that was historically used for crop protection in agriculture; other applications included controlling storage pests in grains and dried commodities, protecting timber and wood products in forestry and construction, and it appeared in legacy pesticide formulations and as a subject in environmental monitoring and toxicology research as a persistence marker; today its use is heavily restricted or banned in many regions and current applications are limited to regulated, legacy contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.7
    methanol 2.28
    isopropanol 2.31
    water 0.01
    ethyl acetate 11.03
    n-propanol 3.38
    acetone 9.19
    n-butanol 4.05
    acetonitrile 3.69
    DMF 24.84
    toluene 22.18
    isobutanol 3.32
    1,4-dioxane 20.64
    methyl acetate 9.25
    THF 42.87
    2-butanone 11.45
    n-pentanol 4.58
    sec-butanol 2.94
    n-hexane 1.18
    ethylene glycol 1.42
    NMP 50.22
    cyclohexane 2.18
    DMSO 9.47
    n-butyl acetate 16.87
    n-octanol 7.7
    chloroform 25.98
    n-propyl acetate 11.28
    acetic acid 3.97
    dichloromethane 20.89
    cyclohexanone 26.1
    propylene glycol 1.75
    isopropyl acetate 12.39
    DMAc 27.66
    2-ethoxyethanol 9.42
    isopentanol 5.13
    n-heptane 2.84
    ethyl formate 6.58
    1,2-dichloroethane 14.14
    n-hexanol 9.33
    2-methoxyethanol 12.39
    isobutyl acetate 11.74
    tetrachloromethane 6.12
    n-pentyl acetate 17.89
    transcutol 24.24
    n-heptanol 8.81
    ethylbenzene 12.88
    MIBK 14.58
    2-propoxyethanol 21.34
    tert-butanol 3.81
    MTBE 7.6
    2-butoxyethanol 17.43
    propionic acid 3.97
    o-xylene 16.15
    formic acid 1.91
    diethyl ether 7.73
    m-xylene 18.97
    p-xylene 15.1
    chlorobenzene 19.73
    dimethyl carbonate 13.52
    n-octane 1.73
    formamide 3.73
    cyclopentanone 37.03
    2-pentanone 13.44
    anisole 20.57
    cyclopentyl methyl ether 25.63
    gamma-butyrolactone 32.08
    1-methoxy-2-propanol 12.01
    pyridine 29.66
    3-pentanone 12.6
    furfural 40.03
    n-dodecane 1.7
    diethylene glycol 12.64
    diisopropyl ether 5.75
    tert-amyl alcohol 4.44
    acetylacetone 19.77
    n-hexadecane 2.03
    acetophenone 22.97
    methyl propionate 13.08
    isopentyl acetate 19.92
    trichloroethylene 36.78
    n-nonanol 9.21
    cyclohexanol 7.58
    benzyl alcohol 14.28
    2-ethylhexanol 11.37
    isooctanol 8.85
    dipropyl ether 12.61
    1,2-dichlorobenzene 21.11
    ethyl lactate 9.18
    propylene carbonate 21.13
    n-methylformamide 7.94
    2-pentanol 3.82
    n-pentane 1.19
    1-propoxy-2-propanol 17.84
    1-methoxy-2-propyl acetate 27.77
    2-(2-methoxypropoxy) propanol 22.34
    mesitylene 12.79
    ε-caprolactone 24.77
    p-cymene 15.06
    epichlorohydrin 35.94
    1,1,1-trichloroethane 17.27
    2-aminoethanol 2.59
    morpholine-4-carbaldehyde 44.87
    sulfolane 39.39
    2,2,4-trimethylpentane 1.53
    2-methyltetrahydrofuran 24.7
    n-hexyl acetate 19.42
    isooctane 1.47
    2-(2-butoxyethoxy)ethanol 23.14
    sec-butyl acetate 11.64
    tert-butyl acetate 18.48
    decalin 3.25
    glycerin 4.12
    diglyme 37.06
    acrylic acid 5.12
    isopropyl myristate 13.43
    n-butyric acid 6.89
    acetyl acetate 10.13
    di(2-ethylhexyl) phthalate 17.02
    ethyl propionate 12.4
    nitromethane 10.01
    1,2-diethoxyethane 15.63
    benzonitrile 17.97
    trioctyl phosphate 12.14
    1-bromopropane 9.11
    gamma-valerolactone 46.17
    n-decanol 7.5
    triethyl phosphate 12.13
    4-methyl-2-pentanol 4.76
    propionitrile 5.75
    vinylene carbonate 19.45
    1,1,2-trichlorotrifluoroethane 29.13
    DMS 19.3
    cumene 10.38
    2-octanol 7.12
    2-hexanone 14.13
    octyl acetate 14.84
    limonene 17.15
    1,2-dimethoxyethane 21.19
    ethyl orthosilicate 12.68
    tributyl phosphate 11.41
    diacetone alcohol 17.24
    N,N-dimethylaniline 20.14
    acrylonitrile 8.7
    aniline 15.94
    1,3-propanediol 4.03
    bromobenzene 24.49
    dibromomethane 14.2
    1,1,2,2-tetrachloroethane 26.45
    2-methyl-cyclohexyl acetate 21.8
    tetrabutyl urea 18.22
    diisobutyl methanol 8.57
    2-phenylethanol 23.57
    styrene 13.24
    dioctyl adipate 17.53
    dimethyl sulfate 19.37
    ethyl butyrate 15.02
    methyl lactate 10.99
    butyl lactate 15.68
    diethyl carbonate 10.36
    propanediol butyl ether 12.83
    triethyl orthoformate 15.32
    p-tert-butyltoluene 15.59
    methyl 4-tert-butylbenzoate 32.44
    morpholine 22.66
    tert-butylamine 3.05
    n-dodecanol 6.21
    dimethoxymethane 23.79
    ethylene carbonate 14.28
    cyrene 29.86
    2-ethoxyethyl acetate 22.19
    2-ethylhexyl acetate 19.1
    1,2,4-trichlorobenzene 28.43
    4-methylpyridine 29.3
    dibutyl ether 9.72
    2,6-dimethyl-4-heptanol 8.57
    DEF 18.96
    dimethyl isosorbide 53.23
    tetrachloroethylene 19.57
    eugenol 32.02
    triacetin 21.63
    span 80 20.59
    1,4-butanediol 2.35
    1,1-dichloroethane 11.33
    2-methyl-1-pentanol 6.3
    methyl formate 8.5
    2-methyl-1-butanol 4.73
    n-decane 2.54
    butyronitrile 6.41
    3,7-dimethyl-1-octanol 9.98
    1-chlorooctane 7.99
    1-chlorotetradecane 4.79
    n-nonane 2.01
    undecane 2.05
    tert-butylcyclohexane 2.87
    cyclooctane 1.79
    cyclopentanol 8.4
    tetrahydropyran 17.58
    tert-amyl methyl ether 10.02
    2,5,8-trioxanonane 32.48
    1-hexene 3.96
    2-isopropoxyethanol 8.86
    2,2,2-trifluoroethanol 3.45
    methyl butyrate 13.6

    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