Tebuthiuron

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  • Identifiers

    CAS number
    34014-18-1

    Molecular formula
    C9H16N4OS

    SMILES
    CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 34.19%
    Cooling 31.22%
    Mint 29.2%
    Roasted 28.59%
    Meaty 28.02%
    Savory 28.01%
    Sulfurous 21.36%
    Cheesy 21.16%
    Cooked 21.16%
    Nutty 21.14%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    228.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Melting point expt.

    • 161.5-164 °C

    Flash point est.
    159.14 ˚C

    Solubility expt.

    • Solubility in benzene 3.7, hexane 6.1, 2-methoxyethanol 60, acetonitrile 60, acetone 70, methanol 170, chloroform 250 (all in g/L, 25 °C)
    • In water, 2.5X10+3 mg/L at 25 °C

  • Synonyms

    • tebuthiuron
    • 34014-18-1
    • Spike
    • 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
    • Graslan
    • Perflan
    • Brulan
    • Tiurolan
    • Prefmid
    • Tebulan
    • 1-(5-(tert-Butyl)-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
    • Spike 80W
    • Graslan 250 brush bullets
    • Tebuthiuron [ISO]
    • Urea, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethyl-
    • EL-103
    • Bushwacker
    • Tebuthiuron [ANSI:BSI:ISO]
    • Perfmid
    • Preflan
    • HSDB 6863
    • UNII-E5OX6GM11E
    • EINECS 251-793-7
    • E5OX6GM11E
    • EPA Pesticide Chemical Code 105501
    • BRN 0527479
    • DTXSID3024316
    • TEBUTHIURON [MI]
    • TEBUTHIURON [HSDB]
    • DTXCID704316
    • CHEBI:81745
    • El 103
    • Brush bullet
    • N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea
    • N-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea
    • Tebuthiuron 10 microg/mL in Acetonitrile
    • 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff
    • Urea, 1-(5-(t-butyl)-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-
    • Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-
    • Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-
    • N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff
    • N-[5-(tert-butyl)(1,3,4-thiadiazol-2-yl)]-N-methyl(methylamino)carboxamide
    • Tebuthiuron (ANSI:BSI:ISO)
    • Caswell No. 366AA
    • N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-NN'-dimethylurea
    • Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-
    • CAS-34014-18-1
    • SHA 105501
    • 1-[5-(tert-Butyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea
    • Tebu Thiouron
    • 1,3-Dimethyl-1-(5-(2-methyl-2-propanyl)-1,3,4-thiadiazol-2-yl)urea
    • 1,3-Dimethyl-1-[5-(2-methyl-2-propanyl)-1,3,4-thiadiazol-2-yl]urea
    • N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-NN'-dimethylurea
    • N-(5-(tert-butyl)(1,3,4-thiadiazol-2-yl))-N-methyl(methylamino)carboxamide
    • MFCD00078732
    • Spectrum_001825
    • SpecPlus_000426
    • Spectrum2_001881
    • Spectrum3_000823
    • Spectrum4_000663
    • Spectrum5_001958
    • 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff [German]
    • N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff [German]
    • SCHEMBL66366
    • BSPBio_002345
    • KBioGR_001065
    • KBioSS_002330
    • SPECTRUM330031
    • MLS000079345
    • DivK1c_006522
    • SPBio_001782
    • CHEMBL1457493
    • KBio1_001466
    • KBio2_002327
    • KBio2_004895
    • KBio2_007463
    • KBio3_001845
    • EL103
    • HMS2451L04
    • Tox21_201451
    • Tox21_300802
    • CCG-39419
    • EI-103
    • STK537090
    • AKOS005467953
    • USEPA/OPP Pesticide Code: 105501
    • NCGC00020997-01
    • NCGC00020997-02
    • NCGC00020997-03
    • NCGC00020997-04
    • NCGC00020997-05
    • NCGC00020997-06
    • NCGC00020997-07
    • NCGC00020997-08
    • NCGC00023459-02
    • NCGC00023459-03
    • NCGC00023459-04
    • NCGC00023459-05
    • NCGC00254706-01
    • NCGC00259002-01
    • BS-44188
    • SMR000036753
    • DB-048548
    • CS-0320310
    • E-103
    • NS00005719
    • T3647
    • C18436
    • T72327
    • Tebuthiuron, PESTANAL(R), analytical standard
    • 1(5tertButyl1,3,4thiadiazol2yl)1,3dimethylurea
    • 1(5tertButyl1,3,4thiadiazol2yl)3dimethylharnstoff
    • Q125986
    • Urea, 2(5tertbutyl1,3,4thiadiazol2yl)1,3dimethyl
    • BRD-K34820100-001-02-1
    • N(5(1,1Dimethylethyl)1,3,4thiadiazol2yl)N,N'dimethylurea
    • Urea, 2(5tertbutyl1,3,4thiadiazol2yl)1,3dimethyl (8CI)
    • Urea, N(5(1,1dimethylethyl)1,3,4thiadiazol2yl)N,N'dimethyl
    • N(5(1,1Dimethylaethyl)1,3,4thiadiazol2yl)N,N'dimethylharnstoff
    • Urea, N(5(1,1dimethylethyl)1,3,4thiadiazol2yl)N,N'dimethyl(9CI)
    • Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-(8CI)
    • 251-793-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.74
    methanol 45.32
    isopropanol 28.56
    water 0.28
    ethyl acetate 48.45
    n-propanol 31.07
    acetone 91.49
    n-butanol 29.92
    acetonitrile 51.88
    DMF 416.32
    toluene 46.84
    isobutanol 25.69
    1,4-dioxane 90.3
    methyl acetate 72.74
    THF 191.83
    2-butanone 96.58
    n-pentanol 26.88
    sec-butanol 32.01
    n-hexane 0.51
    ethylene glycol 11.37
    NMP 533.03
    cyclohexane 1.5
    DMSO 246.11
    n-butyl acetate 48.83
    n-octanol 11.21
    chloroform 243.16
    n-propyl acetate 41.38
    acetic acid 94.46
    dichloromethane 197.62
    cyclohexanone 170.49
    propylene glycol 25.92
    isopropyl acetate 34.55
    DMAc 405.82
    2-ethoxyethanol 54.65
    isopentanol 29.23
    n-heptane 0.43
    ethyl formate 58.88
    1,2-dichloroethane 99.85
    n-hexanol 26.84
    2-methoxyethanol 92.5
    isobutyl acetate 31.55
    tetrachloromethane 22.69
    n-pentyl acetate 33.24
    transcutol 82.08
    n-heptanol 16.35
    ethylbenzene 18.59
    MIBK 38.28
    2-propoxyethanol 67.78
    tert-butanol 39.18
    MTBE 31.0
    2-butoxyethanol 45.23
    propionic acid 55.8
    o-xylene 28.16
    formic acid 55.99
    diethyl ether 17.71
    m-xylene 26.8
    p-xylene 36.61
    chlorobenzene 93.82
    dimethyl carbonate 44.65
    n-octane 0.27
    formamide 88.28
    cyclopentanone 228.0
    2-pentanone 60.06
    anisole 55.52
    cyclopentyl methyl ether 62.34
    gamma-butyrolactone 243.4
    1-methoxy-2-propanol 70.83
    pyridine 179.43
    3-pentanone 47.62
    furfural 280.11
    n-dodecane 0.32
    diethylene glycol 53.26
    diisopropyl ether 5.16
    tert-amyl alcohol 41.47
    acetylacetone 81.01
    n-hexadecane 0.4
    acetophenone 83.29
    methyl propionate 56.64
    isopentyl acetate 48.6
    trichloroethylene 331.96
    n-nonanol 11.25
    cyclohexanol 41.7
    benzyl alcohol 69.48
    2-ethylhexanol 17.96
    isooctanol 13.74
    dipropyl ether 10.0
    1,2-dichlorobenzene 87.31
    ethyl lactate 34.12
    propylene carbonate 152.86
    n-methylformamide 118.59
    2-pentanol 18.44
    n-pentane 0.57
    1-propoxy-2-propanol 46.23
    1-methoxy-2-propyl acetate 59.82
    2-(2-methoxypropoxy) propanol 48.8
    mesitylene 12.66
    ε-caprolactone 150.13
    p-cymene 12.81
    epichlorohydrin 226.85
    1,1,1-trichloroethane 103.56
    2-aminoethanol 27.42
    morpholine-4-carbaldehyde 273.64
    sulfolane 310.47
    2,2,4-trimethylpentane 1.11
    2-methyltetrahydrofuran 121.71
    n-hexyl acetate 38.33
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 49.47
    sec-butyl acetate 30.14
    tert-butyl acetate 38.86
    decalin 1.62
    glycerin 43.22
    diglyme 90.48
    acrylic acid 73.93
    isopropyl myristate 12.35
    n-butyric acid 65.58
    acetyl acetate 45.56
    di(2-ethylhexyl) phthalate 30.24
    ethyl propionate 34.02
    nitromethane 176.2
    1,2-diethoxyethane 26.04
    benzonitrile 97.4
    trioctyl phosphate 17.16
    1-bromopropane 35.73
    gamma-valerolactone 299.2
    n-decanol 7.95
    triethyl phosphate 26.59
    4-methyl-2-pentanol 12.47
    propionitrile 41.54
    vinylene carbonate 146.86
    1,1,2-trichlorotrifluoroethane 208.72
    DMS 51.53
    cumene 13.01
    2-octanol 10.43
    2-hexanone 49.87
    octyl acetate 19.34
    limonene 15.76
    1,2-dimethoxyethane 90.63
    ethyl orthosilicate 23.02
    tributyl phosphate 21.44
    diacetone alcohol 63.1
    N,N-dimethylaniline 46.12
    acrylonitrile 73.42
    aniline 72.19
    1,3-propanediol 42.22
    bromobenzene 85.55
    dibromomethane 105.69
    1,1,2,2-tetrachloroethane 243.91
    2-methyl-cyclohexyl acetate 42.0
    tetrabutyl urea 29.1
    diisobutyl methanol 8.9
    2-phenylethanol 63.19
    styrene 26.23
    dioctyl adipate 26.25
    dimethyl sulfate 107.79
    ethyl butyrate 33.11
    methyl lactate 50.78
    butyl lactate 38.97
    diethyl carbonate 28.71
    propanediol butyl ether 45.57
    triethyl orthoformate 27.23
    p-tert-butyltoluene 12.13
    methyl 4-tert-butylbenzoate 57.0
    morpholine 127.06
    tert-butylamine 16.92
    n-dodecanol 5.49
    dimethoxymethane 86.53
    ethylene carbonate 98.59
    cyrene 100.34
    2-ethoxyethyl acetate 49.04
    2-ethylhexyl acetate 39.83
    1,2,4-trichlorobenzene 130.84
    4-methylpyridine 209.02
    dibutyl ether 7.91
    2,6-dimethyl-4-heptanol 8.9
    DEF 94.55
    dimethyl isosorbide 102.49
    tetrachloroethylene 124.32
    eugenol 59.38
    triacetin 46.54
    span 80 44.13
    1,4-butanediol 20.55
    1,1-dichloroethane 104.39
    2-methyl-1-pentanol 31.27
    methyl formate 92.74
    2-methyl-1-butanol 30.8
    n-decane 0.51
    butyronitrile 45.93
    3,7-dimethyl-1-octanol 13.53
    1-chlorooctane 5.5
    1-chlorotetradecane 1.98
    n-nonane 0.38
    undecane 0.4
    tert-butylcyclohexane 1.44
    cyclooctane 0.43
    cyclopentanol 58.85
    tetrahydropyran 69.95
    tert-amyl methyl ether 28.15
    2,5,8-trioxanonane 63.27
    1-hexene 4.8
    2-isopropoxyethanol 42.63
    2,2,2-trifluoroethanol 58.2
    methyl butyrate 57.79

    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