Thiophanate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23564-06-9

    Molecular formula
    C14H18N4O4S2

    SMILES
    CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Odorless 45.99%
    Fruity 36.25%
    Savory 35.7%
    Meaty 35.25%
    Grape 29.68%
    Sulfurous 29.49%
    Cooked 28.79%
    Roasted 25.05%
    Cheesy 21.76%
    Tropical 20.64%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    370.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    714°C

    Melting point expt.

    • 194 °C (decomposes)

    Flash point est.
    228.01 ˚C

    Solubility expt.

    • Almost insoluble in water; sparingly soluble in most organic solvents

  • Synonyms

    • Thiophanate
    • 23564-06-9
    • Ethyl thiophanate
    • Thiophanate-Ethyl
    • Thiophanat
    • Cercobin
    • Thiofanate
    • Enovit
    • Topsin
    • Nemafax
    • Topsin E
    • Topsin NF 35
    • Pelt (pesticide)
    • THIOPHANAT-ETHYL
    • THIOPHANATE ETHYL
    • Vermadax
    • PELT
    • Caswell No. 344A
    • Cleary 3336
    • Chipco Spot Kleen
    • Thiophanate [BAN]
    • Thiophanat [German]
    • Cercobin WP 50%
    • Tiofanate etile
    • NF 35
    • NF 35 (fungicide)
    • 3336 Turf fungicide
    • BAS 3220
    • Cleary's Turf Fungicide
    • Tiofanate etile [Italian]
    • 4,4'-o-Phenylenebis(ethyl 3-thioallophanate)
    • Thiophenite
    • NSC 170810
    • HSDB 6938
    • Thiophanate [BSI:ISO]
    • EINECS 245-741-2
    • 1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene
    • EPA Pesticide Chemical Code 103401
    • NSC-170810
    • 1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene
    • Diethyl 4,4'-o-phenylenebis(3-thioallophanate)
    • BRN 0939969
    • Thiophanat (German)
    • NF 35, fungicide
    • 1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene
    • DTXSID3034531
    • CHEBI:82060
    • Cleary's 3336
    • 5Q0Y96D5I8
    • THIOPHANATE [MI]
    • 1,2-Bis(3-ethoxycarbonyl-2-thioureido)benzene
    • 3336-F
    • THIOPHANATE [ISO]
    • THIOPHANATE [HSDB]
    • THIOPHANATE [MART.]
    • ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
    • DTXCID1014531
    • Allophanic acid, 4,4'-o-phenylenebis(3-thio-, diethyl ester
    • Diethyl (1,2-phenylenebis(iminocarbonothioyl))bis(carbamate)
    • (1,2-Phenylenebis(iminocarbonothioyl))biscarbamic acid diethyl ester
    • Carbamic acid, (1,2-phenylenebis(iminocarbonothioyl))bis-, diethyl ester
    • Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, diethyl ester
    • 1,2-Bis[3-(ethoxycarbonyl)thioureido]benzene
    • THIOPHANATE (MART.)
    • diethyl (1,2-phenylenedicarbamothioyl)biscarbamate
    • diethyl 4,4'-(o-phenylene)bis(3-thioallophanate)
    • TIOFANATE ETILE (ITALIAN)
    • Allophanic acid, 4,4'-o-phenylenebis[3-thio-, diethyl ester
    • diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate
    • diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]
    • DIETHYL N,N'-(1,2-PHENYLENEBIS(IMINOCARBONOTHIOYL))BIS(CARBAMATE)
    • Thiophanate-ethyl [French]
    • 37359-51-6
    • Diethyl 4,4'-o-phenylenebis[3-thioallophanate]
    • Diethyl 4,4'-o-phenylene-bis(3-thioallophanate)
    • Diethyl 4,4'-o-phenylene-bis[3-thioallophanate]
    • ThiophanateEthyl
    • UNII-5Q0Y96D5I8
    • thiphanate-ethyl
    • diethyl N,N'-(1,2-phenylenebis(azanediylcarbonothioyl))dicarbamate
    • PELT SOL
    • Pesticide Code 103401
    • SCHEMBL20842
    • CHEMBL2103777
    • Tox21_301909
    • Diethyl (1,2-phenylenebis(iminocarbonothioyl))bis(carbamate) (9CI)
    • NSC170810
    • STK377494
    • AKOS005449019
    • 1,2-Bis(ethoxycarbonylthioureido)benzene
    • 1,2Di(3ethoxycarbonyl2thioureido)benzene
    • NCGC00160551-01
    • NCGC00255347-01
    • 4,4'oPhenylenebis(ethyl 3thioallophanate)
    • 1,2Bis(3ethoxycarbonyl2thioureido) benzene
    • CAS-23564-06-9
    • DB-046180
    • 1,2Bis(3(ethoxycarbonyl)2thioureido)benzene
    • 3336F
    • Diethyl 4,4'ophenylenebis(3thioallophanate)
    • NS00005194
    • C18918
    • 1,2-BIS-(3-ETHOXYCARBONYLTHIOUREIDO)BENZENE
    • diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate
    • Q27155716
    • Allophanic acid, 4,4'ophenylenebis(3thio, diethyl ester
    • DIETHYL-4,4'-o-PHENYLENEBIS(3-THIOALLOPHANATE)
    • Allophanic acid,4'-o-phenylenebis[3-thio-, diethyl ester
    • Diethyl (1,2phenylenebis(iminocarbonothioyl))bis(carbamate)
    • (1,2Phenylenebis(iminocarbonothioyl))biscarbamic acid diethyl ester
    • Carbamic acid,2-phenylenebis(iminocarbonothioyl)]bis-, diethyl ester
    • Diethyl (1,2phenylenebis(iminocarbonothioyl))bis(carbamate) (9CI)
    • Carbamic acid, (1,2phenylenebis(iminocarbonothioyl))bis, diethyl ester
    • (1,2-PHENYLENEBIS(IMINOCARBONOTHIOYL)) BISCARBAMIC ACID DIETHYL ESTER
    • Carbamic acid, (1,2-phenylenebis(iminocarbonothioyl))bis-, diethyl ester (9CI)
    • Ethyl [2-(([(ethoxycarbonyl)amino]carbothioyl)amino)anilino]carbothioylcarbamate #
    • ethyl [2-({[(ethoxycarbonyl)amino]carbothioyl}amino)anilino]carbothioylcarbamate
    • 245-741-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.76
    methanol 2.43
    isopropanol 1.0
    water 0.01
    ethyl acetate 2.94
    n-propanol 1.35
    acetone 9.72
    n-butanol 1.15
    acetonitrile 2.74
    DMF 83.76
    toluene 0.29
    isobutanol 0.85
    1,4-dioxane 3.87
    methyl acetate 5.1
    THF 26.01
    2-butanone 8.96
    n-pentanol 0.97
    sec-butanol 1.27
    n-hexane 0.05
    ethylene glycol 0.65
    NMP 87.44
    cyclohexane 0.04
    DMSO 106.78
    n-butyl acetate 2.96
    n-octanol 0.49
    chloroform 11.09
    n-propyl acetate 2.76
    acetic acid 8.63
    dichloromethane 11.95
    cyclohexanone 11.61
    propylene glycol 1.51
    isopropyl acetate 1.52
    DMAc 159.37
    2-ethoxyethanol 7.12
    isopentanol 0.99
    n-heptane 0.03
    ethyl formate 4.61
    1,2-dichloroethane 6.08
    n-hexanol 0.55
    2-methoxyethanol 14.22
    isobutyl acetate 1.15
    tetrachloromethane 0.5
    n-pentyl acetate 1.61
    transcutol 12.18
    n-heptanol 0.53
    ethylbenzene 0.29
    MIBK 1.93
    2-propoxyethanol 7.25
    tert-butanol 1.02
    MTBE 0.99
    2-butoxyethanol 4.2
    propionic acid 3.88
    o-xylene 0.35
    formic acid 6.25
    diethyl ether 0.99
    m-xylene 0.18
    p-xylene 0.51
    chlorobenzene 1.18
    dimethyl carbonate 5.27
    n-octane 0.02
    formamide 12.81
    cyclopentanone 26.11
    2-pentanone 4.36
    anisole 2.11
    cyclopentyl methyl ether 2.47
    gamma-butyrolactone 29.32
    1-methoxy-2-propanol 9.35
    pyridine 8.43
    3-pentanone 3.93
    furfural 25.07
    n-dodecane 0.02
    diethylene glycol 6.01
    diisopropyl ether 0.15
    tert-amyl alcohol 1.38
    acetylacetone 7.69
    n-hexadecane 0.03
    acetophenone 4.74
    methyl propionate 5.52
    isopentyl acetate 2.46
    trichloroethylene 16.59
    n-nonanol 0.61
    cyclohexanol 1.1
    benzyl alcohol 2.63
    2-ethylhexanol 0.54
    isooctanol 0.48
    dipropyl ether 0.94
    1,2-dichlorobenzene 1.71
    ethyl lactate 3.82
    propylene carbonate 10.51
    n-methylformamide 15.69
    2-pentanol 0.59
    n-pentane 0.03
    1-propoxy-2-propanol 4.91
    1-methoxy-2-propyl acetate 5.76
    2-(2-methoxypropoxy) propanol 8.57
    mesitylene 0.12
    ε-caprolactone 9.79
    p-cymene 0.27
    epichlorohydrin 26.77
    1,1,1-trichloroethane 2.74
    2-aminoethanol 1.67
    morpholine-4-carbaldehyde 36.76
    sulfolane 66.78
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.19
    n-hexyl acetate 1.89
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.08
    sec-butyl acetate 1.4
    tert-butyl acetate 1.82
    decalin 0.04
    glycerin 4.97
    diglyme 15.53
    acrylic acid 5.61
    isopropyl myristate 0.96
    n-butyric acid 4.46
    acetyl acetate 2.15
    di(2-ethylhexyl) phthalate 2.38
    ethyl propionate 3.08
    nitromethane 28.25
    1,2-diethoxyethane 2.87
    benzonitrile 2.91
    trioctyl phosphate 1.3
    1-bromopropane 1.73
    gamma-valerolactone 34.83
    n-decanol 0.47
    triethyl phosphate 3.23
    4-methyl-2-pentanol 0.36
    propionitrile 2.07
    vinylene carbonate 8.76
    1,1,2-trichlorotrifluoroethane 29.4
    DMS 4.12
    cumene 0.25
    2-octanol 0.33
    2-hexanone 3.76
    octyl acetate 1.41
    limonene 0.39
    1,2-dimethoxyethane 16.59
    ethyl orthosilicate 2.39
    tributyl phosphate 2.04
    diacetone alcohol 5.02
    N,N-dimethylaniline 2.04
    acrylonitrile 4.38
    aniline 1.73
    1,3-propanediol 2.62
    bromobenzene 0.91
    dibromomethane 5.08
    1,1,2,2-tetrachloroethane 14.37
    2-methyl-cyclohexyl acetate 2.77
    tetrabutyl urea 3.89
    diisobutyl methanol 0.32
    2-phenylethanol 2.15
    styrene 0.43
    dioctyl adipate 2.99
    dimethyl sulfate 21.19
    ethyl butyrate 3.1
    methyl lactate 7.63
    butyl lactate 3.05
    diethyl carbonate 2.67
    propanediol butyl ether 3.38
    triethyl orthoformate 2.88
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 5.48
    morpholine 8.18
    tert-butylamine 0.38
    n-dodecanol 0.36
    dimethoxymethane 15.62
    ethylene carbonate 5.66
    cyrene 13.52
    2-ethoxyethyl acetate 3.6
    2-ethylhexyl acetate 1.93
    1,2,4-trichlorobenzene 3.09
    4-methylpyridine 5.73
    dibutyl ether 0.87
    2,6-dimethyl-4-heptanol 0.32
    DEF 11.83
    dimethyl isosorbide 14.78
    tetrachloroethylene 5.7
    eugenol 6.11
    triacetin 5.1
    span 80 4.54
    1,4-butanediol 1.08
    1,1-dichloroethane 3.27
    2-methyl-1-pentanol 1.08
    methyl formate 11.39
    2-methyl-1-butanol 1.14
    n-decane 0.04
    butyronitrile 2.08
    3,7-dimethyl-1-octanol 0.56
    1-chlorooctane 0.26
    1-chlorotetradecane 0.13
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 2.28
    tetrahydropyran 2.37
    tert-amyl methyl ether 1.3
    2,5,8-trioxanonane 12.81
    1-hexene 0.3
    2-isopropoxyethanol 3.52
    2,2,2-trifluoroethanol 4.77
    methyl butyrate 5.27

    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