Siduron

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  • Identifiers

    CAS number
    1982-49-6

    Molecular formula
    C14H20N2O

    SMILES
    CC1CCCCC1NC(=O)NC2=CC=CC=C2

  • Odor profile

    Cooling 38.48%
    Savory 33.47%
    Meaty 32.64%
    Odorless 32.35%
    Cheesy 30.96%
    Animal 27.46%
    Fishy 26.36%
    Ripe 25.68%
    Cooked 25.16%
    Mint 24.64%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.7 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    404°C

    Melting point expt.

    • 135 °C
    • CRYSTALS; MELTING POINT: 157-159 °C /TRANS-SIDURON/

    Flash point est.
    168.68 ˚C

    Solubility expt.

    • Sol to the extent of 10% or more in ethanol, dimethylacetamide, dimethylformamide, and methylene chloride.
    • In dimethylacetamide 36.7, dimethylformamide 26, ethanol 16, isophorone 11.8, cellosolve 17.5, and methylene chloride 11.8 (all in g/100 mL) at 25 °C.
    • In water, 18 mg/L at 25 °C

  • Synonyms

    • SIDURON
    • 1982-49-6
    • 1-(2-Methylcyclohexyl)-3-phenylurea
    • Tupersan
    • Trey
    • Urea, N-(2-methylcyclohexyl)-N'-phenyl-
    • Du Pont herbicide 1,318
    • Caswell No. 733A
    • Du Pont 1318
    • N-Phenyl-N'-(2-methylcyclohexyl)urea
    • Siduron [ISO]
    • Siduron [ANSI:BSI:ISO]
    • Urea, 1-(2-methylcyclohexyl)-3-phenyl-
    • 1-(2-Methylcycohexyl)-3-phenylurea
    • HSDB 1764
    • EINECS 217-844-2
    • H 1318
    • EPA Pesticide Chemical Code 035509
    • NSC 131951
    • UNII-513S964LJO
    • DTXSID7032474
    • 513S964LJO
    • SIDURON [MI]
    • NSC-131951
    • DTXCID5012474
    • CHEBI:81744
    • Siduron (ANSI:BSI:ISO)
    • DuPont 1318
    • N-(2-Methylcyclohexyl)-N'-phenylurea
    • UREA,N-(2-METHYLCYCLOHEXYL)-N'-PHENYL-
    • SCHEMBL66323
    • 1(2Methylcycohexyl)3phenylurea
    • WLN: L6TJ AMVMR& B1
    • CHEMBL1902120
    • N(2Methylcyclohexyl)N'phenylurea
    • NPhenylN'(2methylcyclohexyl)urea
    • Urea, 1(2methylcyclohexyl)3phenyl
    • Urea, N(2methylcyclohexyl)N'phenyl
    • Tox21_301425
    • MFCD00072453
    • NSC131951
    • AKOS001192124
    • USEPA/OPP Pesticide Code: 035509
    • NCGC00163937-01
    • NCGC00163937-02
    • NCGC00255363-01
    • N-(2-Methylcyclohexyl)-N'-phenylurea #
    • CAS-1982-49-6
    • Siduron, PESTANAL(R), analytical standard
    • NS00009230
    • C18435
    • N-(2-METHYLCYCLOHEXYL)-N'-PHENYLUREA [HSDB]
    • Q27155591
    • 217-844-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.39
    methanol 183.9
    isopropanol 71.3
    water 0.15
    ethyl acetate 101.07
    n-propanol 104.75
    acetone 216.23
    n-butanol 81.87
    acetonitrile 45.1
    DMF 605.86
    toluene 18.83
    isobutanol 59.82
    1,4-dioxane 161.66
    methyl acetate 82.52
    THF 270.37
    2-butanone 131.6
    n-pentanol 55.73
    sec-butanol 47.28
    n-hexane 1.44
    ethylene glycol 29.47
    NMP 181.23
    cyclohexane 1.97
    DMSO 536.78
    n-butyl acetate 95.6
    n-octanol 19.97
    chloroform 226.7
    n-propyl acetate 59.17
    acetic acid 130.46
    dichloromethane 154.42
    cyclohexanone 161.21
    propylene glycol 48.76
    isopropyl acetate 73.95
    DMAc 459.85
    2-ethoxyethanol 94.9
    isopentanol 69.91
    n-heptane 1.21
    ethyl formate 57.89
    1,2-dichloroethane 153.13
    n-hexanol 73.05
    2-methoxyethanol 210.11
    isobutyl acetate 49.54
    tetrachloromethane 9.07
    n-pentyl acetate 40.54
    transcutol 391.26
    n-heptanol 29.99
    ethylbenzene 12.85
    MIBK 74.86
    2-propoxyethanol 168.32
    tert-butanol 74.98
    MTBE 56.81
    2-butoxyethanol 83.38
    propionic acid 84.74
    o-xylene 14.1
    formic acid 57.7
    diethyl ether 51.17
    m-xylene 16.79
    p-xylene 20.48
    chlorobenzene 52.07
    dimethyl carbonate 57.85
    n-octane 0.74
    formamide 85.38
    cyclopentanone 231.36
    2-pentanone 109.4
    anisole 44.35
    cyclopentyl methyl ether 58.48
    gamma-butyrolactone 190.63
    1-methoxy-2-propanol 156.61
    pyridine 121.63
    3-pentanone 79.37
    furfural 166.25
    n-dodecane 0.99
    diethylene glycol 135.24
    diisopropyl ether 13.01
    tert-amyl alcohol 49.2
    acetylacetone 162.47
    n-hexadecane 1.14
    acetophenone 55.18
    methyl propionate 93.13
    isopentyl acetate 89.19
    trichloroethylene 278.77
    n-nonanol 20.8
    cyclohexanol 45.39
    benzyl alcohol 45.94
    2-ethylhexanol 31.61
    isooctanol 24.48
    dipropyl ether 28.7
    1,2-dichlorobenzene 50.94
    ethyl lactate 40.78
    propylene carbonate 101.05
    n-methylformamide 144.61
    2-pentanol 37.35
    n-pentane 1.12
    1-propoxy-2-propanol 103.13
    1-methoxy-2-propyl acetate 111.09
    2-(2-methoxypropoxy) propanol 83.58
    mesitylene 11.02
    ε-caprolactone 110.24
    p-cymene 12.04
    epichlorohydrin 226.54
    1,1,1-trichloroethane 64.98
    2-aminoethanol 76.77
    morpholine-4-carbaldehyde 200.09
    sulfolane 257.61
    2,2,4-trimethylpentane 1.55
    2-methyltetrahydrofuran 97.79
    n-hexyl acetate 50.47
    isooctane 1.36
    2-(2-butoxyethoxy)ethanol 121.88
    sec-butyl acetate 43.83
    tert-butyl acetate 72.58
    decalin 2.12
    glycerin 79.04
    diglyme 210.37
    acrylic acid 76.68
    isopropyl myristate 21.12
    n-butyric acid 131.09
    acetyl acetate 65.94
    di(2-ethylhexyl) phthalate 31.37
    ethyl propionate 51.21
    nitromethane 222.2
    1,2-diethoxyethane 95.55
    benzonitrile 51.91
    trioctyl phosphate 21.2
    1-bromopropane 42.7
    gamma-valerolactone 270.17
    n-decanol 16.69
    triethyl phosphate 28.46
    4-methyl-2-pentanol 30.31
    propionitrile 54.8
    vinylene carbonate 93.42
    1,1,2-trichlorotrifluoroethane 175.98
    DMS 63.37
    cumene 11.83
    2-octanol 15.69
    2-hexanone 73.18
    octyl acetate 29.33
    limonene 15.28
    1,2-dimethoxyethane 168.67
    ethyl orthosilicate 27.06
    tributyl phosphate 26.58
    diacetone alcohol 97.73
    N,N-dimethylaniline 31.84
    acrylonitrile 80.31
    aniline 48.05
    1,3-propanediol 107.49
    bromobenzene 45.1
    dibromomethane 89.89
    1,1,2,2-tetrachloroethane 245.31
    2-methyl-cyclohexyl acetate 46.22
    tetrabutyl urea 36.31
    diisobutyl methanol 18.23
    2-phenylethanol 58.17
    styrene 17.0
    dioctyl adipate 36.33
    dimethyl sulfate 98.7
    ethyl butyrate 52.67
    methyl lactate 70.01
    butyl lactate 49.44
    diethyl carbonate 38.1
    propanediol butyl ether 71.35
    triethyl orthoformate 40.07
    p-tert-butyltoluene 11.7
    methyl 4-tert-butylbenzoate 55.23
    morpholine 186.13
    tert-butylamine 32.22
    n-dodecanol 12.72
    dimethoxymethane 220.32
    ethylene carbonate 79.64
    cyrene 69.21
    2-ethoxyethyl acetate 73.91
    2-ethylhexyl acetate 61.48
    1,2,4-trichlorobenzene 64.26
    4-methylpyridine 88.46
    dibutyl ether 21.58
    2,6-dimethyl-4-heptanol 18.23
    DEF 123.08
    dimethyl isosorbide 130.06
    tetrachloroethylene 115.9
    eugenol 65.99
    triacetin 57.7
    span 80 64.55
    1,4-butanediol 35.87
    1,1-dichloroethane 95.1
    2-methyl-1-pentanol 49.71
    methyl formate 88.74
    2-methyl-1-butanol 54.88
    n-decane 1.32
    butyronitrile 56.37
    3,7-dimethyl-1-octanol 24.83
    1-chlorooctane 9.36
    1-chlorotetradecane 4.49
    n-nonane 1.02
    undecane 1.11
    tert-butylcyclohexane 2.08
    cyclooctane 0.68
    cyclopentanol 57.62
    tetrahydropyran 112.65
    tert-amyl methyl ether 35.86
    2,5,8-trioxanonane 143.39
    1-hexene 11.02
    2-isopropoxyethanol 67.2
    2,2,2-trifluoroethanol 42.24
    methyl butyrate 73.32

    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