Lenacil

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  • Identifiers

    CAS number
    2164-08-1

    Molecular formula
    C13H18N2O2

    SMILES
    C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 33.85%
    Animal 28.17%
    Green 24.55%
    Nutty 23.11%
    Musty 21.37%
    Bitter 20.87%
    Spicy 18.96%
    Burnt 18.49%
    Fruity 18.02%
    Herbal 17.49%

     

    Flavor
    Bitter 82.47%
    Animal 21.38%
    Alkaline 20.57%
    Cedarleaf 20.33%
    Cereal 20.05%
    Lovage 20.0%
    Very strong 19.81%
    Shrimp 19.61%
    Odorless 19.6%
    Indole 19.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.6 (neutral)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    450°C

    Flash point

    • 204.63 ˚C est.

  • Synonyms

    • LENACIL
    • 2164-08-1
    • Venzar
    • 3-Cyclohexyl-5,6-trimethyleneuracil
    • Du Pont 634
    • X58DK6S8KX
    • CHEBI:6407
    • 3-Cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4(3H,5H)-dione
    • 3-Cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione
    • DTXSID9042093
    • 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
    • hexylure
    • 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta(d)pyrimidine-2,4-dione
    • RefChem:152739
    • DTXCID7022093
    • 218-499-0
    • Elbatan
    • Hexilure
    • Buracyl
    • Adol (pesticide)
    • Herbicide 634
    • Uracil 634
    • Lenacile
    • Experimental herbicide 634
    • 1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 3-cyclohexyl-6,7-dihydro-
    • 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
    • 3-Cyclohexyl-5,6-trimethylenuracil
    • 1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-3-cyclohexyl-
    • 3-Cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4-(3H,5H)-dione
    • Lenacil 10 microg/mL in Acetonitrile
    • Lenacil 100 microg/mL in Acetonitrile
    • Vizor
    • Caswell No. 525A
    • Lenacile [ISO-French]
    • Lenacil [ANSI:BSI:ISO]
    • CCRIS 1936
    • EINECS 218-499-0
    • MFCD00055395
    • EPA Pesticide Chemical Code 525200
    • BRN 0751331
    • LENACIL [ISO]
    • LENACIL [MI]
    • 3-Cyclohexyl-5,6-trimethylenuracil [German]
    • ChemDiv2_003460
    • UNII-X58DK6S8KX
    • Cambridge id 5278276
    • TimTec1_005078
    • Oprea1_040328
    • SCHEMBL55361
    • CBDivE_015813
    • MLS000053105
    • orb1306756
    • orb3025407
    • CHEMBL1522462
    • SCHEMBL27962026
    • HMS1378N06
    • HMS1548G18
    • HMS2429C16
    • CAA16408
    • MSK22196
    • 6,7-Dihydro-3-cyclohexyl-1H-cyclopentapyrimidine-2,4(3H,5H)-dione
    • BDBM50487030
    • SBB057020
    • STK753301
    • STK855435
    • AKOS000545956
    • AKOS002346590
    • SDCCGMLS-0034596.P002
    • SMR000069372
    • DB-045652
    • HY-116706
    • Lenacil, PESTANAL(R), analytical standard
    • CS-0066327
    • EU-0067105
    • NS00000444
    • 164L081
    • 1Y-0616
    • SR-01000398292
    • Q1817371
    • SR-01000398292-1
    • BRD-K32360302-001-06-7
    • 5-cyclohexyl-2,3,5,7-tetrahydro-5,7-diazaindene-4,6-dione
    • 3-Cyclohexyl-1,5,6,7-tetrahydo-2H-cyclopentapyrimidine-2,4(3H)-dione
    • 3-Cyclohexyl-2-hydroxy-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
    • 3-CYCLOHEXYL-1,5,6,7-TETRAHYDRO-2H-CYCLOPENTAPYRIMIDINE-2,4(3H)-DIONE
    • 3-Cyclohexyl-2-hydroxy-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one #
    • 2164-08-1

  • Applications

    Lenacil (CAS 2164-08-1) is primarily used as an agricultural herbicide active ingredient for weed control in a range of crops; it is formulated into products such as emulsifiable concentrates, granules, or suspension concentrates for field application; it may serve as an intermediate in the synthesis of other agrochemicals; it is commonly evaluated in crop protection research and development; it can be used for vegetation management in non-crop areas; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.96
    methanol 49.69
    isopropanol 49.63
    water 0.16
    ethyl acetate 26.42
    n-propanol 48.73
    acetone 56.78
    n-butanol 52.56
    acetonitrile 16.58
    DMF 236.36
    toluene 10.01
    isobutanol 45.2
    1,4-dioxane 68.59
    methyl acetate 34.57
    THF 125.05
    2-butanone 58.68
    n-pentanol 38.32
    sec-butanol 45.76
    n-hexane 0.29
    ethylene glycol 22.02
    NMP 146.14
    cyclohexane 0.92
    DMSO 107.58
    n-butyl acetate 35.28
    n-octanol 11.74
    chloroform 114.75
    n-propyl acetate 24.05
    acetic acid 64.36
    dichloromethane 84.98
    cyclohexanone 117.13
    propylene glycol 43.61
    isopropyl acetate 23.6
    DMAc 157.49
    2-ethoxyethanol 59.18
    isopentanol 51.42
    n-heptane 0.24
    ethyl formate 41.78
    1,2-dichloroethane 59.44
    n-hexanol 32.99
    2-methoxyethanol 123.9
    isobutyl acetate 22.28
    tetrachloromethane 6.1
    n-pentyl acetate 28.31
    transcutol 85.85
    n-heptanol 18.81
    ethylbenzene 6.6
    MIBK 28.58
    2-propoxyethanol 83.18
    tert-butanol 37.59
    MTBE 11.16
    2-butoxyethanol 53.32
    propionic acid 55.48
    o-xylene 7.29
    formic acid 35.94
    diethyl ether 8.2
    m-xylene 7.6
    p-xylene 12.25
    chlorobenzene 35.61
    dimethyl carbonate 20.33
    n-octane 0.24
    formamide 53.82
    cyclopentanone 138.14
    2-pentanone 39.59
    anisole 15.9
    cyclopentyl methyl ether 25.39
    gamma-butyrolactone 139.8
    1-methoxy-2-propanol 95.42
    pyridine 94.65
    3-pentanone 23.79
    furfural 137.12
    n-dodecane 0.46
    diethylene glycol 86.63
    diisopropyl ether 3.03
    tert-amyl alcohol 32.99
    acetylacetone 49.06
    n-hexadecane 0.56
    acetophenone 30.72
    methyl propionate 28.37
    isopentyl acetate 39.12
    trichloroethylene 145.09
    n-nonanol 12.17
    cyclohexanol 44.42
    benzyl alcohol 42.81
    2-ethylhexanol 15.56
    isooctanol 16.79
    dipropyl ether 5.45
    1,2-dichlorobenzene 33.97
    ethyl lactate 28.84
    propylene carbonate 82.19
    n-methylformamide 78.92
    2-pentanol 25.59
    n-pentane 0.3
    1-propoxy-2-propanol 47.69
    1-methoxy-2-propyl acetate 41.2
    2-(2-methoxypropoxy) propanol 44.76
    mesitylene 4.91
    ε-caprolactone 88.01
    p-cymene 6.05
    epichlorohydrin 144.63
    1,1,1-trichloroethane 29.26
    2-aminoethanol 47.3
    morpholine-4-carbaldehyde 125.92
    sulfolane 145.41
    2,2,4-trimethylpentane 0.5
    2-methyltetrahydrofuran 57.45
    n-hexyl acetate 30.29
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 60.06
    sec-butyl acetate 17.45
    tert-butyl acetate 22.5
    decalin 0.91
    glycerin 75.03
    diglyme 72.98
    acrylic acid 58.03
    isopropyl myristate 12.59
    n-butyric acid 84.7
    acetyl acetate 20.56
    di(2-ethylhexyl) phthalate 24.75
    ethyl propionate 18.2
    nitromethane 73.53
    1,2-diethoxyethane 23.39
    benzonitrile 51.02
    trioctyl phosphate 17.37
    1-bromopropane 17.95
    gamma-valerolactone 180.77
    n-decanol 9.73
    triethyl phosphate 15.23
    4-methyl-2-pentanol 17.28
    propionitrile 26.99
    vinylene carbonate 76.7
    1,1,2-trichlorotrifluoroethane 115.33
    DMS 34.25
    cumene 5.95
    2-octanol 12.09
    2-hexanone 29.88
    octyl acetate 17.52
    limonene 6.63
    1,2-dimethoxyethane 64.25
    ethyl orthosilicate 13.51
    tributyl phosphate 19.43
    diacetone alcohol 48.2
    N,N-dimethylaniline 12.99
    acrylonitrile 43.91
    aniline 30.13
    1,3-propanediol 87.76
    bromobenzene 27.2
    dibromomethane 44.09
    1,1,2,2-tetrachloroethane 114.93
    2-methyl-cyclohexyl acetate 24.21
    tetrabutyl urea 27.8
    diisobutyl methanol 8.7
    2-phenylethanol 40.16
    styrene 7.82
    dioctyl adipate 20.61
    dimethyl sulfate 36.3
    ethyl butyrate 18.24
    methyl lactate 42.77
    butyl lactate 40.45
    diethyl carbonate 15.71
    propanediol butyl ether 50.34
    triethyl orthoformate 16.67
    p-tert-butyltoluene 5.32
    methyl 4-tert-butylbenzoate 32.52
    morpholine 95.8
    tert-butylamine 12.3
    n-dodecanol 7.64
    dimethoxymethane 58.1
    ethylene carbonate 62.09
    cyrene 57.62
    2-ethoxyethyl acetate 37.72
    2-ethylhexyl acetate 27.76
    1,2,4-trichlorobenzene 43.3
    4-methylpyridine 71.81
    dibutyl ether 7.27
    2,6-dimethyl-4-heptanol 8.7
    DEF 48.67
    dimethyl isosorbide 66.83
    tetrachloroethylene 61.68
    eugenol 45.97
    triacetin 29.92
    span 80 42.56
    1,4-butanediol 39.71
    1,1-dichloroethane 42.38
    2-methyl-1-pentanol 39.24
    methyl formate 54.09
    2-methyl-1-butanol 46.31
    n-decane 0.54
    butyronitrile 34.34
    3,7-dimethyl-1-octanol 15.44
    1-chlorooctane 4.49
    1-chlorotetradecane 2.43
    n-nonane 0.36
    undecane 0.49
    tert-butylcyclohexane 0.74
    cyclooctane 0.28
    cyclopentanol 62.04
    tetrahydropyran 48.06
    tert-amyl methyl ether 9.91
    2,5,8-trioxanonane 59.04
    1-hexene 2.55
    2-isopropoxyethanol 41.73
    2,2,2-trifluoroethanol 31.73
    methyl butyrate 32.83

    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