Thidiazuron

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  • Identifiers

    CAS number
    51707-55-2

    Molecular formula
    C9H8N4OS

    SMILES
    C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Meaty 39.8%
    Odorless 39.44%
    Cooked 37.2%
    Fruity 34.29%
    Savory 33.97%
    Cheesy 29.85%
    Roasted 28.38%
    Ripe 24.46%
    Burnt 24.05%
    Sulfurous 22.33%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    220.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    625°C

    Melting point expt.

    • 210.5 - 212.5 °C (decomposes)

    Flash point est.
    205.58 ˚C

    Solubility expt.

    • >500 g/L in dimethyl sulfoxide; > 500 g/L in dimethylformamide; 21.5 g/L in cyclohexane; 4.5 g/L in methanol; 8 g/L in acetone
    • 0.002 g/L in hexane at 20 °C; 0.003 g/L at 20 °C; 1.1 g/L in ethyl acetate at 20 °C
    • In water, 20 mg/L at 23 °C

  • Synonyms

    • THIDIAZURON
    • 51707-55-2
    • 1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea
    • 1-phenyl-3-(thiadiazol-5-yl)urea
    • Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl-
    • Caswell No. 659A
    • Thidiauron
    • Thidiazuron [ANSI:BSI:ISO]
    • EINECS 257-356-7
    • UNII-0091WH7STF
    • EPA Pesticide Chemical Code 120301
    • BRN 1078092
    • N-Phenyl-N'-1,2,3-thiazol-5-ylurea
    • 0091WH7STF
    • DTXSID0032651
    • N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea
    • HSDB 7734
    • N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea
    • THIDIAZURON [MI]
    • Defolit
    • THIDIAZURON [ISO]
    • THIDIAZURON [HSDB]
    • CHEMBL505661
    • DTXCID8012651
    • CHEBI:81977
    • Dropp
    • Urea, 1-phenyl-3-(1,2,3-thiadiazol-5-yl)-
    • (phenylamino)-N-(1,2,3-thiadiazol-5-yl)carboxamide
    • MFCD00078723
    • TDZ
    • Thidiazuron (ANSI:BSI:ISO)
    • Dropp SC
    • SN 49537
    • C9H8N4OS
    • Thidiazuran
    • Leafless
    • 5-Phenylcarbamoylamino-1,2,3-thiadiazole
    • FreeFall
    • (N-1,2,3-Thiadiazolyl-5)-N'-phenylurea
    • Ginstar EC
    • CCG-24904
    • Thidiazuron 50 WSB
    • DROPP 50WP
    • Cambridge id 5282278
    • SCHEMBL121077
    • SCHEMBL11467912
    • NPhenylN'1,2,3thiadiazol5ylurea
    • 1-phenyl-3-(5-thiadiazolyl)urea
    • HY-B0872
    • 1Phenyl3(1,2,3thiadiazol5yl)urea
    • Tox21_300651
    • (N1,2,3Thiadiazolyl5)N'phenylurea
    • BDBM50274591
    • STL298442
    • Urea, NphenylN'1,2,3thiadiazol5yl
    • AKOS000505963
    • FT28210
    • HF-0028
    • Urea, 1phenyl3(1,2,3thiadiazol5yl)
    • USEPA/OPP Pesticide Code: 120301
    • NCGC00160490-01
    • NCGC00160490-02
    • NCGC00160490-03
    • NCGC00160490-04
    • NCGC00254559-01
    • AC-14070
    • AC-37621
    • n-phenyl-n'-1,2,3-thiadiazol-5-yl urea
    • Thidiazuron 100 microg/mL in Acetonitrile
    • 1-phenyl-3-(1,2,3-thidiazol-5-yl)urea
    • CAS-51707-55-2
    • DB-015552
    • CS-0012891
    • N-phenyl-N'-1,2,3-thiadiazole-5-yl Urea
    • NS00009917
    • T3995
    • Urea, NphenylN'1,2,3thiadiazol5yl (9CI)
    • A10899
    • C18812
    • Thidiazuron, PESTANAL(R), analytical standard
    • AB00079069-01
    • A828736
    • Thidiazuron, plant cell culture tested, BioReagent
    • Q1968056
    • UREA,N-PHENYL-N'-1,3,4-THIADIAZOL-2-YL-
    • N'-phenyl-N-(1,2,3-thiadiazol-5-yl)carbamimidic acid
    • Thidiazuron, 1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea
    • N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea;1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea;Avguron
    • WA1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.44
    methanol 7.81
    isopropanol 1.79
    water 0.07
    ethyl acetate 5.12
    n-propanol 3.2
    acetone 11.19
    n-butanol 1.98
    acetonitrile 4.19
    DMF 500.34
    toluene 0.17
    isobutanol 1.61
    1,4-dioxane 11.36
    methyl acetate 12.53
    THF 34.45
    2-butanone 18.04
    n-pentanol 2.59
    sec-butanol 2.01
    n-hexane 0.0
    ethylene glycol 6.53
    NMP 126.84
    cyclohexane 0.0
    DMSO 196.39
    n-butyl acetate 7.17
    n-octanol 1.22
    chloroform 0.87
    n-propyl acetate 7.34
    acetic acid 12.11
    dichloromethane 0.7
    cyclohexanone 14.06
    propylene glycol 8.56
    isopropyl acetate 3.37
    DMAc 448.24
    2-ethoxyethanol 30.52
    isopentanol 2.21
    n-heptane 0.02
    ethyl formate 8.08
    1,2-dichloroethane 0.88
    n-hexanol 2.0
    2-methoxyethanol 60.96
    isobutyl acetate 4.34
    tetrachloromethane 0.1
    n-pentyl acetate 3.69
    transcutol 57.37
    n-heptanol 1.76
    ethylbenzene 0.23
    MIBK 4.46
    2-propoxyethanol 27.03
    tert-butanol 2.74
    MTBE 1.27
    2-butoxyethanol 15.3
    propionic acid 9.3
    o-xylene 0.29
    formic acid 14.77
    diethyl ether 0.52
    m-xylene 0.24
    p-xylene 0.47
    chlorobenzene 0.67
    dimethyl carbonate 14.61
    n-octane 0.01
    formamide 35.45
    cyclopentanone 34.23
    2-pentanone 6.18
    anisole 4.82
    cyclopentyl methyl ether 2.61
    gamma-butyrolactone 47.69
    1-methoxy-2-propanol 37.5
    pyridine 10.71
    3-pentanone 4.95
    furfural 46.27
    n-dodecane 0.03
    diethylene glycol 31.81
    diisopropyl ether 0.19
    tert-amyl alcohol 2.96
    acetylacetone 15.08
    n-hexadecane 0.03
    acetophenone 10.78
    methyl propionate 13.53
    isopentyl acetate 7.02
    trichloroethylene 3.63
    n-nonanol 1.51
    cyclohexanol 1.18
    benzyl alcohol 7.25
    2-ethylhexanol 1.66
    isooctanol 1.7
    dipropyl ether 1.56
    1,2-dichlorobenzene 1.25
    ethyl lactate 13.38
    propylene carbonate 18.05
    n-methylformamide 64.15
    2-pentanol 0.85
    n-pentane 0.0
    1-propoxy-2-propanol 18.48
    1-methoxy-2-propyl acetate 16.59
    2-(2-methoxypropoxy) propanol 25.51
    mesitylene 0.22
    ε-caprolactone 17.58
    p-cymene 0.67
    epichlorohydrin 29.26
    1,1,1-trichloroethane 0.63
    2-aminoethanol 12.9
    morpholine-4-carbaldehyde 116.98
    sulfolane 75.98
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 6.47
    n-hexyl acetate 4.39
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 25.95
    sec-butyl acetate 4.08
    tert-butyl acetate 4.52
    decalin 0.02
    glycerin 27.92
    diglyme 47.47
    acrylic acid 13.17
    isopropyl myristate 2.5
    n-butyric acid 7.87
    acetyl acetate 4.09
    di(2-ethylhexyl) phthalate 6.51
    ethyl propionate 6.56
    nitromethane 53.62
    1,2-diethoxyethane 8.4
    benzonitrile 6.58
    trioctyl phosphate 3.47
    1-bromopropane 0.19
    gamma-valerolactone 76.16
    n-decanol 1.27
    triethyl phosphate 5.84
    4-methyl-2-pentanol 0.92
    propionitrile 3.88
    vinylene carbonate 16.96
    1,1,2-trichlorotrifluoroethane 44.81
    DMS 10.0
    cumene 0.29
    2-octanol 0.84
    2-hexanone 8.22
    octyl acetate 3.85
    limonene 0.77
    1,2-dimethoxyethane 50.42
    ethyl orthosilicate 4.59
    tributyl phosphate 4.41
    diacetone alcohol 15.3
    N,N-dimethylaniline 4.39
    acrylonitrile 10.74
    aniline 2.02
    1,3-propanediol 13.02
    bromobenzene 0.4
    dibromomethane 0.28
    1,1,2,2-tetrachloroethane 3.82
    2-methyl-cyclohexyl acetate 7.08
    tetrabutyl urea 9.07
    diisobutyl methanol 1.13
    2-phenylethanol 6.68
    styrene 0.35
    dioctyl adipate 7.06
    dimethyl sulfate 43.24
    ethyl butyrate 6.8
    methyl lactate 27.31
    butyl lactate 9.44
    diethyl carbonate 5.95
    propanediol butyl ether 16.42
    triethyl orthoformate 6.75
    p-tert-butyltoluene 0.63
    methyl 4-tert-butylbenzoate 12.18
    morpholine 24.97
    tert-butylamine 0.64
    n-dodecanol 1.0
    dimethoxymethane 49.61
    ethylene carbonate 11.23
    cyrene 30.08
    2-ethoxyethyl acetate 9.73
    2-ethylhexyl acetate 5.0
    1,2,4-trichlorobenzene 2.86
    4-methylpyridine 7.63
    dibutyl ether 1.26
    2,6-dimethyl-4-heptanol 1.13
    DEF 29.57
    dimethyl isosorbide 35.22
    tetrachloroethylene 1.59
    eugenol 17.2
    triacetin 12.9
    span 80 15.18
    1,4-butanediol 6.47
    1,1-dichloroethane 0.42
    2-methyl-1-pentanol 2.75
    methyl formate 34.47
    2-methyl-1-butanol 2.08
    n-decane 0.03
    butyronitrile 3.03
    3,7-dimethyl-1-octanol 1.77
    1-chlorooctane 0.24
    1-chlorotetradecane 0.18
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 2.91
    tetrahydropyran 2.16
    tert-amyl methyl ether 1.65
    2,5,8-trioxanonane 40.26
    1-hexene 0.06
    2-isopropoxyethanol 14.96
    2,2,2-trifluoroethanol 7.87
    methyl butyrate 10.93

    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