Cyhexatin

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  • Identifiers

    CAS number
    13121-70-5

    Molecular formula
    C18H35OSn

    SMILES
    C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 43.04%
    Animal 34.52%
    Waxy 32.75%
    Green 31.14%
    Woody 30.97%
    Fresh 30.62%
    Sweet 29.77%
    Musk 25.22%
    Earthy 25.2%
    Fruity 24.85%

     

    Flavor
    Animal 24.82%
    Alkaline 22.08%
    Shrimp 20.27%
    Cereal 19.02%
    Fir needle 18.92%
    Rotten 18.51%
    Soil 18.31%
    Beet 18.27%
    Old paper 18.26%
    Tarry 18.14%

     

  • Properties

    pKa est.
    8.21 (weak base)

    Molecular weight
    386.2 g/mol

    Melting point expt.

    • 383 °F (NIOSH, 2024)
    • 196 °C
    • 383 °F

    Boiling point

    • 442 °F at 760 mmHg (Decomposes) (NIOSH, 2024)
    • 442 °F (decomposes)
    • 442 °F (Decomposes)

    Flash point

    • 130.34 ˚C est.

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • In water <1 mg/l (25 °C)
    • In acetone 1.3 g/kg at 25 °C; in chloroform 216 g/kg at 25 °C; in methanol 37 g/kg at 25 °C; in toluene 10 g/kg at 25 °C; in dichloromethane 34 g/kg at 25 °C; in carbon tetrachloride 28 g/kg at 25 °C; in benzene 16 g/kg at 25 °C; in xylene 3.6 g/kg at 25 °C
    • Insoluble

  • Synonyms

    • Cyhexatin
    • 13121-70-5
    • Tricyclohexyltin hydroxide
    • Tricyclohexylhydroxytin
    • Stannane, tricyclohexylhydroxy-
    • PLICTRAN
    • Tricyclohexylhydroxystannane
    • Plyctran
    • Tricyclohexylstannanol
    • Hydroxytricyclohexylstannane
    • Dowco-213
    • Tricyclohexylzinnhydroxid
    • Tin, tricyclohexylhydroxy-
    • Plictran 5OW miticide
    • Tricyclohexylstannium hydroxide
    • Cyhexatin [ISO]
    • ENT 27,395-X
    • Tricyclohexylzinnhydroxid [German]
    • Ortho Plictran 50 wettable miticide
    • 8YJV11QB4R
    • ENT 27395
    • M 3180
    • Dowco 213
    • CYHEXATIN [MI]
    • CYHEXATIN [HSDB]
    • NSC-179742
    • CHEBI:4036
    • DTXSID1032357
    • Caswell No. 884A
    • TRICYCLOHEXYLZINNHYDROXID (GERMAN)
    • Cyhexatin [ANSI:BSI:ISO]
    • TCTH
    • CCRIS 6824
    • HSDB 1782
    • EINECS 236-049-1
    • UNII-8YJV11QB4R
    • EPA Pesticide Chemical Code 101601
    • NSC 179742
    • Mitacid (Sipcam)
    • Acarstin (Sipcam)
    • Plictran 50W
    • MFCD00078642
    • ACAREX
    • ACARSTIN
    • PLIKTRAN
    • Cyhexatin (ACGIH)
    • Dowco213
    • Aracnol F (Diachem)
    • ACARSTIN L
    • tricyclohexyltin;hydrate
    • Tin, tricyclohexylhydroxy
    • REDRAN 25PB
    • Pesticide Code: 101601
    • SCHEMBL26095
    • Stannane, tricyclohexylhydroxy
    • PLICTRAN (DISCONTINUED)
    • DTXCID9012357
    • OMS 3029
    • TRICYCLOHEXYLSTANNYL HYDROXIDE
    • NSC179742
    • AKOS015904131
    • MSK25043-100M
    • NCGC00164294-01
    • CID 25199838
    • tricyclohexyltin hydroxide (before 1989)
    • Cyhexatin Solution in Methanol, 100ug/mL
    • NS00052038
    • WLN: L6TJ A-SN-Q- AL6TJ&- AL6TJ
    • Cyhexatin, PESTANAL(R), analytical standard
    • 13171-70-5
    • 236-049-1

  • Applications

    Cyhexatin (CAS 13121-70-5) is an organotin fungicidal active ingredient used in agriculture for crop protection, including seed treatments, and as a wood-preserving agent to protect lumber and wooden structures from fungal decay and mold. It is also evaluated as a biocidal additive in coatings and paints to inhibit fungal growth on treated surfaces, and can serve as an intermediate in the synthesis of other organotin biocides for industrial formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.83
    methanol 17.53
    isopropanol 57.87
    water 0.03
    ethyl acetate 276.93
    n-propanol 80.44
    acetone 238.65
    n-butanol 97.2
    acetonitrile 56.9
    DMF 294.1
    toluene 354.02
    isobutanol 76.25
    1,4-dioxane 552.53
    methyl acetate 185.17
    THF 1532.01
    2-butanone 272.56
    n-pentanol 71.25
    sec-butanol 78.79
    n-hexane 45.46
    ethylene glycol 6.25
    NMP 606.89
    cyclohexane 213.68
    DMSO 232.56
    n-butyl acetate 369.12
    n-octanol 111.62
    chloroform 836.92
    n-propyl acetate 218.97
    acetic acid 55.62
    dichloromethane 652.18
    cyclohexanone 824.43
    propylene glycol 18.08
    isopropyl acetate 287.93
    DMAc 317.43
    2-ethoxyethanol 102.14
    isopentanol 100.94
    n-heptane 112.11
    ethyl formate 135.66
    1,2-dichloroethane 428.12
    n-hexanol 131.26
    2-methoxyethanol 130.54
    isobutyl acetate 203.35
    tetrachloromethane 198.73
    n-pentyl acetate 332.64
    transcutol 358.09
    n-heptanol 109.46
    ethylbenzene 139.82
    MIBK 262.9
    2-propoxyethanol 205.41
    tert-butanol 101.65
    MTBE 202.19
    2-butoxyethanol 176.32
    propionic acid 80.35
    o-xylene 203.69
    formic acid 7.42
    diethyl ether 267.44
    m-xylene 233.56
    p-xylene 159.06
    chlorobenzene 386.78
    dimethyl carbonate 140.9
    n-octane 49.96
    formamide 19.72
    cyclopentanone 1105.27
    2-pentanone 332.04
    anisole 241.8
    cyclopentyl methyl ether 707.55
    gamma-butyrolactone 898.55
    1-methoxy-2-propanol 155.31
    pyridine 502.52
    3-pentanone 296.16
    furfural 568.1
    n-dodecane 29.3
    diethylene glycol 75.59
    diisopropyl ether 157.73
    tert-amyl alcohol 103.75
    acetylacetone 434.97
    n-hexadecane 35.79
    acetophenone 250.3
    methyl propionate 239.85
    isopentyl acetate 353.56
    trichloroethylene 833.16
    n-nonanol 117.33
    cyclohexanol 215.04
    benzyl alcohol 149.53
    2-ethylhexanol 145.8
    isooctanol 109.11
    dipropyl ether 342.69
    1,2-dichlorobenzene 372.12
    ethyl lactate 86.14
    propylene carbonate 499.65
    n-methylformamide 84.64
    2-pentanol 93.13
    n-pentane 60.62
    1-propoxy-2-propanol 226.15
    1-methoxy-2-propyl acetate 400.66
    2-(2-methoxypropoxy) propanol 157.4
    mesitylene 181.69
    ε-caprolactone 622.52
    p-cymene 163.48
    epichlorohydrin 835.93
    1,1,1-trichloroethane 521.77
    2-aminoethanol 20.82
    morpholine-4-carbaldehyde 495.03
    sulfolane 949.12
    2,2,4-trimethylpentane 40.17
    2-methyltetrahydrofuran 795.62
    n-hexyl acetate 324.66
    isooctane 36.46
    2-(2-butoxyethoxy)ethanol 209.04
    sec-butyl acetate 194.46
    tert-butyl acetate 387.93
    decalin 73.16
    glycerin 27.21
    diglyme 432.5
    acrylic acid 61.5
    isopropyl myristate 172.26
    n-butyric acid 185.02
    acetyl acetate 225.42
    di(2-ethylhexyl) phthalate 124.12
    ethyl propionate 203.13
    nitromethane 141.75
    1,2-diethoxyethane 319.99
    benzonitrile 233.62
    trioctyl phosphate 112.69
    1-bromopropane 319.43
    gamma-valerolactone 980.7
    n-decanol 87.22
    triethyl phosphate 166.86
    4-methyl-2-pentanol 77.9
    propionitrile 112.53
    vinylene carbonate 373.67
    1,1,2-trichlorotrifluoroethane 369.95
    DMS 215.17
    cumene 102.18
    2-octanol 98.81
    2-hexanone 218.05
    octyl acetate 185.47
    limonene 260.85
    1,2-dimethoxyethane 279.97
    ethyl orthosilicate 167.08
    tributyl phosphate 125.94
    diacetone alcohol 236.45
    N,N-dimethylaniline 170.37
    acrylonitrile 110.92
    aniline 227.67
    1,3-propanediol 48.44
    bromobenzene 508.73
    dibromomethane 472.6
    1,1,2,2-tetrachloroethane 711.98
    2-methyl-cyclohexyl acetate 283.41
    tetrabutyl urea 170.99
    diisobutyl methanol 129.46
    2-phenylethanol 183.31
    styrene 171.85
    dioctyl adipate 201.86
    dimethyl sulfate 234.71
    ethyl butyrate 314.35
    methyl lactate 94.71
    butyl lactate 198.18
    diethyl carbonate 189.23
    propanediol butyl ether 121.45
    triethyl orthoformate 275.24
    p-tert-butyltoluene 168.16
    methyl 4-tert-butylbenzoate 284.62
    morpholine 512.38
    tert-butylamine 79.21
    n-dodecanol 70.0
    dimethoxymethane 324.58
    ethylene carbonate 363.52
    cyrene 231.21
    2-ethoxyethyl acetate 349.35
    2-ethylhexyl acetate 340.06
    1,2,4-trichlorobenzene 434.99
    4-methylpyridine 451.28
    dibutyl ether 246.21
    2,6-dimethyl-4-heptanol 129.46
    DEF 336.89
    dimethyl isosorbide 452.49
    tetrachloroethylene 412.08
    eugenol 191.97
    triacetin 279.16
    span 80 191.42
    1,4-butanediol 22.33
    1,1-dichloroethane 362.18
    2-methyl-1-pentanol 77.86
    methyl formate 87.08
    2-methyl-1-butanol 97.17
    n-decane 58.21
    butyronitrile 145.95
    3,7-dimethyl-1-octanol 128.96
    1-chlorooctane 162.32
    1-chlorotetradecane 66.04
    n-nonane 57.79
    undecane 39.07
    tert-butylcyclohexane 56.1
    cyclooctane 105.53
    cyclopentanol 250.21
    tetrahydropyran 722.94
    tert-amyl methyl ether 198.04
    2,5,8-trioxanonane 275.01
    1-hexene 97.72
    2-isopropoxyethanol 102.44
    2,2,2-trifluoroethanol 36.47
    methyl butyrate 246.28

    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