Captan

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  • Identifiers

    CAS number
    133-06-2

    Molecular formula
    C9H8Cl3NO2S

    SMILES
    C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 43.3%
    Meaty 26.85%
    Savory 22.17%
    Roasted 21.38%
    Cooked 20.68%
    Fruity 19.74%
    Sweet 19.65%
    Green 19.64%
    Cooling 19.58%
    Woody 17.78%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.79 (weak acid)

    Molecular weight
    300.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 352 °F (NTP, 1992)
    • 172.5 °C
    • Colorless to beige amorphous solid with a pungent odor. MP: 175-178 °C /Technical grade/
    • No melting point; decomposes at 178 °C
    • 352 °F
    • 352 °F (Decomposes)

    Boiling point

    • Decomposes (NTP, 1992)
    • decomposes
    • Decomposes

    Flash point est.
    155.81 ˚C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • In water, 5.1 mg/L at 25 °C
    • 7.78 g/100 mL chloroform; 8.15 g/100 mL tetrachloroethane; 4.96 g/100 mL cyclohexanone; 4.70 g/100 mL dioxane; 2.13 g/100 mL benzene; 0.69 g/100 mL toluene; 0.04 g/100 mL heptane; 0.29 g/100 mL ethanol; 0.25 g/100 mL ether at 26 °C
    • 20 g/kg xylene; 21 g/kg acetone; 1.7 g/kg isopropanol; 23 g/kg cyclohexanone at 26 °C
    • Slightly soluble in ethylene dichloride
    • For more Solubility (Complete) data for CAPTAN (6 total), please visit the HSDB record page.
    • Solubility in water, g/100ml at 25 °C: (none)
    • (77 °F): 0.0003%

  • Synonyms

    • CAPTAN
    • 133-06-2
    • Aacaptan
    • Vondcaptan
    • Amercide
    • Captane
    • Malipur
    • Neracid
    • Orthocide
    • Captaf
    • Captex
    • Kaptan
    • Merpan
    • Trimegol
    • Vancide 89
    • Vanicide
    • Bangton
    • Captab
    • Hexacap
    • Osocide
    • Ugecap
    • Stauffer captan
    • Le captane
    • Vangard K
    • Orthocide 50
    • Orthocide 83
    • Orthocide 406
    • Orthocide 7.5
    • Ortocid 50
    • Vancide 89RE
    • Captaf 85W
    • Captan 50W
    • Captadin
    • Captanex
    • Fungus Ban Type II
    • Kaptazor
    • Venturin
    • Zenecal
    • Esso fungicide 406
    • Granox pfm
    • Glyodex 37-22
    • Agrosol S
    • Flit 406
    • Orthocide 75
    • Micro-check 12
    • Bean Seed Protectant
    • Vancide P-75
    • SR 406
    • Sr406
    • N-[(Trichloromethyl)thio]tetrahydrophthalimide
    • ENT 26,538
    • DTXSID9020243
    • Gustafson captan 30-dd
    • Agrox 2-way and 3-way
    • Vanguard K
    • Captancapteneet 26,538
    • NCI-C00077
    • Orthocide S 50
    • CHEBI:34608
    • 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
    • N-Trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide
    • N-(Trichlor-methylthio)-phthalimid
    • 1H-Isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-
    • Trichloromethylthio-1,2,5,6-tetrahydrophthalamide
    • DTXCID90243
    • Buvisild K
    • 3a,4,7,7a-Tetrahydro-N-(trichloromethanesulphenyl)phthalimide
    • Captan 100 microg/mL in Acetone
    • Captan 1000 microg/mL in Acetone
    • 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-
    • 2-((Trichloromethyl)thio)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
    • 3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
    • Captaf 50W
    • Captan [ISO]
    • Ugecap 83
    • NSC-36726
    • N-Trichloromethylthiocyclohex-4-ene-1,2-dicarboximide
    • Captan 100 microg/mL in Acetonitrile
    • Caswell No. 159
    • Glyodex 3722
    • Captan [BSI:ISO]
    • LE Captane [French]
    • Captan-streptomycin 7.5-0.1 potato seed piece protectant
    • Isotox Seed Treater D
    • Isotox Seed Treater F
    • N-[(Trichloromethyl)thio]-4-cyclohexene-1,2-dicarboximide
    • N-Trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide
    • Trichlormethylthioamid kyseliny 1,2,3,6-tetrahydroftalove
    • NCGC00091034-02
    • 4-Cyclohexene-1,2-dicarboximide, N-[(trichloromethyl)thio]-
    • Captane [ISO-French]
    • NSC 36726
    • N-((Trichloromethyl)thio)tetrahydrophthalimide
    • UNII-EOL5G26Q9F
    • 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-
    • 3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione
    • 2-[(Trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
    • 1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide
    • CCRIS 120
    • HSDB 951
    • N-((Trichloromethyl)thio)-4-cyclohexene-1,2-dicarboximide
    • N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide
    • Bangtan
    • Meteoro
    • Phytocape
    • Sepicap
    • Captol
    • Sorene
    • Orthocide-406
    • EINECS 205-087-0
    • EPA Pesticide Chemical Code 081301
    • BRN 0023177
    • LE Captane (French)
    • Captane (ISO-French)
    • CAS-133-06-2
    • AI3-26538
    • CAPTAN (IARC)
    • CAPTAN [HSDB]
    • CAPTAN [IARC]
    • CAPTAN (II)
    • CAPTAN [II]
    • CAPTAN [MI]
    • N-(Trichlor-methylthio)-phthalimid [German]
    • EC 205-087-0
    • N-[(Trichloromethyl)thio]-Delta4-tetrahydrophthalimide
    • 4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-
    • N-((Trichloromethyl)thio)cyclohex-4-ene-1,2-dicarboximide
    • N-[(Trichloromethyl)thio]cyclohex-4-ene-1,2-dicarboximide

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.12
    methanol 6.22
    isopropanol 3.29
    water 0.05
    ethyl acetate 31.95
    n-propanol 5.1
    acetone 42.38
    n-butanol 5.14
    acetonitrile 28.51
    DMF 145.26
    toluene 35.76
    isobutanol 4.36
    1,4-dioxane 52.88
    methyl acetate 44.04
    THF 107.88
    2-butanone 42.71
    n-pentanol 5.23
    sec-butanol 4.69
    n-hexane 0.73
    ethylene glycol 3.24
    NMP 237.67
    cyclohexane 2.15
    DMSO 59.48
    n-butyl acetate 30.17
    n-octanol 4.04
    chloroform 94.46
    n-propyl acetate 26.2
    acetic acid 21.24
    dichloromethane 90.03
    cyclohexanone 74.47
    propylene glycol 3.01
    isopropyl acetate 25.01
    DMAc 170.78
    2-ethoxyethanol 18.4
    isopentanol 5.97
    n-heptane 1.01
    ethyl formate 25.51
    1,2-dichloroethane 50.92
    n-hexanol 8.49
    2-methoxyethanol 31.34
    isobutyl acetate 17.27
    tetrachloromethane 12.22
    n-pentyl acetate 21.01
    transcutol 39.86
    n-heptanol 5.78
    ethylbenzene 17.12
    MIBK 22.74
    2-propoxyethanol 31.04
    tert-butanol 4.91
    MTBE 10.92
    2-butoxyethanol 19.93
    propionic acid 13.32
    o-xylene 22.0
    formic acid 13.14
    diethyl ether 12.64
    m-xylene 19.51
    p-xylene 23.8
    chlorobenzene 53.93
    dimethyl carbonate 41.95
    n-octane 0.46
    formamide 31.58
    cyclopentanone 121.45
    2-pentanone 30.74
    anisole 46.1
    cyclopentyl methyl ether 38.39
    gamma-butyrolactone 133.21
    1-methoxy-2-propanol 22.19
    pyridine 114.32
    3-pentanone 31.05
    furfural 177.64
    n-dodecane 0.49
    diethylene glycol 23.36
    diisopropyl ether 4.96
    tert-amyl alcohol 6.56
    acetylacetone 68.68
    n-hexadecane 0.61
    acetophenone 59.27
    methyl propionate 37.09
    isopentyl acetate 29.07
    trichloroethylene 173.58
    n-nonanol 4.74
    cyclohexanol 10.89
    benzyl alcohol 31.11
    2-ethylhexanol 8.62
    isooctanol 5.5
    dipropyl ether 11.02
    1,2-dichlorobenzene 58.46
    ethyl lactate 18.81
    propylene carbonate 74.55
    n-methylformamide 44.74
    2-pentanol 3.99
    n-pentane 0.66
    1-propoxy-2-propanol 21.37
    1-methoxy-2-propyl acetate 44.69
    2-(2-methoxypropoxy) propanol 28.63
    mesitylene 10.36
    ε-caprolactone 65.96
    p-cymene 11.77
    epichlorohydrin 135.18
    1,1,1-trichloroethane 48.83
    2-aminoethanol 5.36
    morpholine-4-carbaldehyde 157.38
    sulfolane 142.56
    2,2,4-trimethylpentane 0.79
    2-methyltetrahydrofuran 61.26
    n-hexyl acetate 20.99
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 25.3
    sec-butyl acetate 19.98
    tert-butyl acetate 28.6
    decalin 1.92
    glycerin 8.96
    diglyme 60.79
    acrylic acid 21.65
    isopropyl myristate 11.02
    n-butyric acid 17.39
    acetyl acetate 38.52
    di(2-ethylhexyl) phthalate 18.88
    ethyl propionate 28.02
    nitromethane 97.51
    1,2-diethoxyethane 20.5
    benzonitrile 58.27
    trioctyl phosphate 9.77
    1-bromopropane 19.32
    gamma-valerolactone 154.93
    n-decanol 3.77
    triethyl phosphate 19.56
    4-methyl-2-pentanol 3.85
    propionitrile 19.81
    vinylene carbonate 73.32
    1,1,2-trichlorotrifluoroethane 100.69
    DMS 40.15
    cumene 10.1
    2-octanol 3.89
    2-hexanone 26.09
    octyl acetate 13.52
    limonene 13.9
    1,2-dimethoxyethane 49.69
    ethyl orthosilicate 16.28
    tributyl phosphate 12.61
    diacetone alcohol 29.74
    N,N-dimethylaniline 35.47
    acrylonitrile 41.81
    aniline 36.96
    1,3-propanediol 7.71
    bromobenzene 61.46
    dibromomethane 48.11
    1,1,2,2-tetrachloroethane 100.55
    2-methyl-cyclohexyl acetate 29.79
    tetrabutyl urea 21.05
    diisobutyl methanol 5.09
    2-phenylethanol 33.53
    styrene 23.96
    dioctyl adipate 20.96
    dimethyl sulfate 76.68
    ethyl butyrate 25.82
    methyl lactate 27.32
    butyl lactate 18.29
    diethyl carbonate 21.59
    propanediol butyl ether 12.62
    triethyl orthoformate 20.4
    p-tert-butyltoluene 10.52
    methyl 4-tert-butylbenzoate 40.64
    morpholine 60.27
    tert-butylamine 3.04
    n-dodecanol 3.0
    dimethoxymethane 55.47
    ethylene carbonate 45.96
    cyrene 55.22
    2-ethoxyethyl acetate 34.92
    2-ethylhexyl acetate 27.11
    1,2,4-trichlorobenzene 79.21
    4-methylpyridine 105.52
    dibutyl ether 6.42
    2,6-dimethyl-4-heptanol 5.09
    DEF 58.41
    dimethyl isosorbide 80.89
    tetrachloroethylene 64.32
    eugenol 39.27
    triacetin 38.51
    span 80 21.0
    1,4-butanediol 3.93
    1,1-dichloroethane 36.46
    2-methyl-1-pentanol 6.98
    methyl formate 47.55
    2-methyl-1-butanol 6.06
    n-decane 0.67
    butyronitrile 17.53
    3,7-dimethyl-1-octanol 6.04
    1-chlorooctane 3.65
    1-chlorotetradecane 2.09
    n-nonane 0.52
    undecane 0.56
    tert-butylcyclohexane 1.31
    cyclooctane 0.92
    cyclopentanol 15.04
    tetrahydropyran 35.28
    tert-amyl methyl ether 13.9
    2,5,8-trioxanonane 46.47
    1-hexene 3.84
    2-isopropoxyethanol 15.1
    2,2,2-trifluoroethanol 19.06
    methyl butyrate 33.94

    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