Molinate

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  • Identifiers

    CAS number
    2212-67-1

    Molecular formula
    C9H17NOS

    SMILES
    CCSC(=O)N1CCCCCC1

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 46.98%
    Sulfurous 46.56%
    Roasted 43.49%
    Tropical 39.87%
    Fruity 38.25%
    Savory 30.32%
    Herbal 29.42%
    Onion 29.32%
    Green 27.82%
    Cooked 27.53%

     

    Flavor
    Roasted 43.16%
    Cooked 27.52%
    Sulfury 26.92%
    Fruity 25.33%
    Meaty 25.16%
    Sulfurous 24.67%
    Roast 22.71%
    Taco 22.4%
    Bouillon 21.77%
    Cabbage 21.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.23 (neutral)

    Molecular weight
    187.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 136.5 °C @ 10 mm Hg

    Flash point

    • 132.19 ˚C est.
    • 139 °C (OC)

    Solubility expt.

    • Miscible with acetone, ethanol, kerosene, 4-methylpentan-2-one, xylene
    • In water, 970 mg/l @ 25 °C

  • Synonyms

    • MOLINATE
    • 2212-67-1
    • Ordram
    • S-Ethyl azepane-1-carbothioate
    • Jalan
    • Yalan
    • Yulan
    • Higalnate
    • Hydram
    • Molmate
    • Felan
    • Sakkimol
    • S-Ethyl hexahydro-1H-azepine-1-carbothioate
    • Molinate estrella
    • Stauffer R-4,572
    • Ethyl 1-hexamethyleneiminecarbothiolate
    • S-Ethyl N,N-hexamethylenethiocarbamate
    • S-Ethyl hexahydroazepine-1-carbothioate
    • Malerbane Giavoni L
    • 1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
    • S-Ethyl-N-hexamethylenethiocarbamate
    • Caswell No. 444
    • Molinate [BSI:ISO]
    • S-Ethyl 1-hexamethyleneiminothiocarbamate
    • Perhydroazepin-1-carbothioate
    • R-4572
    • 68N5G08DJQ
    • CHEBI:6964
    • HSDB 873
    • S-Ethyl perhydroazepine-1-thiocarboxylate
    • DTXSID6024206
    • MOLINATE [HSDB]
    • MOLINATE [ISO]
    • MOLINATE [MI]
    • EINECS 218-661-0
    • R 4572
    • SC 998
    • S-Ethyl perhydroazepin-1-carbothioate
    • EPA Pesticide Chemical Code 041402
    • S-Ethyl N,N-hexamethylenothiocarbamate
    • S-Ethyl-N,N-hexamethylenethiocarbamate
    • BRN 1239196
    • UNII-68N5G08DJQ
    • CCRIS 8083
    • DTXCID204206
    • S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat
    • S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat [German]
    • S-ethyl perhydroazepine-1-carbothioate
    • SC-9908
    • Ialan
    • 5-20-04-00034 (Beilstein Handbook Reference)
    • C9H17NOS
    • CAS-2212-67-1
    • S-ethyl 1-hexamethylenaminothiocarbamate
    • Ordam
    • Molinic acid
    • hexahydro-1H-azepine-1-carbothioic acid S-ethyl ester
    • Stauffer R4,572
    • S-ethyl 1-hexamethylenamino-thiocarbamate
    • SEthyl azepane1carbothioate
    • SCHEMBL63895
    • MLS001065581
    • BIDD:ER0419
    • S-Ethyl 1-azepanecarbothioate
    • SEthylNhexamethylenethiocarbamate
    • CHEMBL1865916
    • S-Ethyl 1-azepanecarbothioate #
    • SEthyl perhydroazepin1carbothioate
    • HMS3039B07
    • SEthylN,Nhexamethylenethiocarbamate
    • SEthyl hexahydroazepine1carbothioate
    • azepan-1-yl(ethylsulfanyl)methanone
    • SEthyl N,Nhexamethylenethiocarbamate
    • Tox21_201572
    • Tox21_300817
    • Ethyl 1hexamethyleneiminecarbothiolate
    • MFCD00055352
    • SAethylNhexahydro1Hazepinthiolcarbamat
    • SEthyl perhydroazepine1thiocarboxylate
    • Molinate 10 microg/mL in Cyclohexane
    • SEthyl hexahydro1Hazepine1carbothioate
    • AKOS006230487
    • SEthyl 1hexamethyleneiminothiocarbamate
    • KS-5374
    • Molinate 100 microg/mL in Cyclohexane
    • NCGC00091443-01
    • NCGC00091443-02
    • NCGC00091443-03
    • NCGC00091443-04
    • NCGC00091443-05
    • NCGC00254721-01
    • NCGC00259121-01
    • AS-13882
    • SMR000568482
    • DB-045809
    • Molinate, PESTANAL(R), analytical standard
    • NS00000706
    • R4572
    • 1HAzepine1carbothioic acid, hexahydro, Sethyl ester
    • Q1943471
    • 1H-AZEPINE-1 CARBOTHIOIC ACID, HEXAHYDRO-S-ETHYL ESTER
    • 1H-AZEPINE-1-CARBOTHIOIC ACID, HEXAHYDRO-S-ETHYL ESTER
    • S-ETHYL ESTER HEXAHYDRO-1H-AZEPINE-1-CARBOTHIOIC ACID
    • 218-661-0

  • Applications

    Molinate (CAS 2212-67-1) is a thiocarbamate herbicide primarily used in rice production to selectively control grasses and some broadleaf weeds, applied as a spray at pre- or post-emergence stages in paddies. It serves as the active ingredient in commercial herbicide formulations for rice cultivation, typically formulated with adjuvants to optimize uptake and persistence. Its use is subject to local regulations and label restrictions due to environmental and aquatic-use considerations. In crop protection practice and agrochemical development, molinate is a representative thiocarbamate herbicide used to manage weeds in paddy systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1083.69
    methanol 1336.13
    isopropanol 915.21
    water 4.41
    ethyl acetate 641.18
    n-propanol 981.27
    acetone 1211.0
    n-butanol 800.69
    acetonitrile 932.69
    DMF 2547.71
    toluene 571.67
    isobutanol 781.82
    1,4-dioxane 1234.43
    methyl acetate 847.54
    THF 1321.16
    2-butanone 1006.12
    n-pentanol 566.96
    sec-butanol 855.87
    n-hexane 37.29
    ethylene glycol 294.39
    NMP 1968.93
    cyclohexane 154.51
    DMSO 1856.06
    n-butyl acetate 651.67
    n-octanol 348.64
    chloroform 5388.23
    n-propyl acetate 559.86
    acetic acid 1552.93
    dichloromethane 3663.52
    cyclohexanone 1868.71
    propylene glycol 429.93
    isopropyl acetate 395.89
    DMAc 1338.25
    2-ethoxyethanol 653.54
    isopentanol 574.45
    n-heptane 33.38
    ethyl formate 950.33
    1,2-dichloroethane 1904.94
    n-hexanol 479.37
    2-methoxyethanol 1066.15
    isobutyl acetate 343.76
    tetrachloromethane 639.04
    n-pentyl acetate 599.83
    transcutol 1412.86
    n-heptanol 334.75
    ethylbenzene 290.03
    MIBK 361.7
    2-propoxyethanol 646.1
    tert-butanol 701.08
    MTBE 434.11
    2-butoxyethanol 565.65
    propionic acid 1207.05
    o-xylene 335.28
    formic acid 592.08
    diethyl ether 397.31
    m-xylene 292.92
    p-xylene 423.61
    chlorobenzene 1505.47
    dimethyl carbonate 284.82
    n-octane 28.04
    formamide 825.52
    cyclopentanone 1935.94
    2-pentanone 614.43
    anisole 555.63
    cyclopentyl methyl ether 591.93
    gamma-butyrolactone 2242.9
    1-methoxy-2-propanol 745.04
    pyridine 2624.57
    3-pentanone 501.42
    furfural 2467.66
    n-dodecane 29.6
    diethylene glycol 522.74
    diisopropyl ether 117.94
    tert-amyl alcohol 638.55
    acetylacetone 683.54
    n-hexadecane 34.93
    acetophenone 691.77
    methyl propionate 560.17
    isopentyl acetate 519.86
    trichloroethylene 4756.02
    n-nonanol 284.06
    cyclohexanol 828.53
    benzyl alcohol 679.61
    2-ethylhexanol 280.78
    isooctanol 270.2
    dipropyl ether 196.66
    1,2-dichlorobenzene 1245.61
    ethyl lactate 313.17
    propylene carbonate 1338.12
    n-methylformamide 1523.37
    2-pentanol 473.63
    n-pentane 44.58
    1-propoxy-2-propanol 496.78
    1-methoxy-2-propyl acetate 436.44
    2-(2-methoxypropoxy) propanol 361.68
    mesitylene 192.74
    ε-caprolactone 1506.17
    p-cymene 174.72
    epichlorohydrin 1967.73
    1,1,1-trichloroethane 1839.84
    2-aminoethanol 623.8
    morpholine-4-carbaldehyde 1554.49
    sulfolane 2487.63
    2,2,4-trimethylpentane 34.1
    2-methyltetrahydrofuran 1058.44
    n-hexyl acetate 673.69
    isooctane 24.04
    2-(2-butoxyethoxy)ethanol 542.27
    sec-butyl acetate 320.19
    tert-butyl acetate 377.21
    decalin 60.6
    glycerin 558.33
    diglyme 1061.38
    acrylic acid 1305.32
    isopropyl myristate 215.79
    n-butyric acid 1304.08
    acetyl acetate 490.36
    di(2-ethylhexyl) phthalate 248.16
    ethyl propionate 372.79
    nitromethane 2021.57
    1,2-diethoxyethane 518.4
    benzonitrile 1417.0
    trioctyl phosphate 177.2
    1-bromopropane 892.25
    gamma-valerolactone 2173.81
    n-decanol 194.49
    triethyl phosphate 209.3
    4-methyl-2-pentanol 229.0
    propionitrile 968.45
    vinylene carbonate 1552.09
    1,1,2-trichlorotrifluoroethane 1735.59
    DMS 464.06
    cumene 181.16
    2-octanol 280.76
    2-hexanone 563.51
    octyl acetate 301.97
    limonene 243.29
    1,2-dimethoxyethane 981.07
    ethyl orthosilicate 195.25
    tributyl phosphate 212.49
    diacetone alcohol 476.55
    N,N-dimethylaniline 356.85
    acrylonitrile 1472.83
    aniline 887.87
    1,3-propanediol 780.63
    bromobenzene 1560.22
    dibromomethane 2414.83
    1,1,2,2-tetrachloroethane 3487.31
    2-methyl-cyclohexyl acetate 336.58
    tetrabutyl urea 299.26
    diisobutyl methanol 161.54
    2-phenylethanol 532.95
    styrene 488.0
    dioctyl adipate 313.52
    dimethyl sulfate 528.57
    ethyl butyrate 388.54
    methyl lactate 384.81
    butyl lactate 466.14
    diethyl carbonate 307.19
    propanediol butyl ether 592.43
    triethyl orthoformate 285.36
    p-tert-butyltoluene 162.61
    methyl 4-tert-butylbenzoate 478.24
    morpholine 1441.45
    tert-butylamine 401.91
    n-dodecanol 145.11
    dimethoxymethane 594.86
    ethylene carbonate 1173.5
    cyrene 474.55
    2-ethoxyethyl acetate 599.4
    2-ethylhexyl acetate 416.81
    1,2,4-trichlorobenzene 1405.95
    4-methylpyridine 1965.06
    dibutyl ether 303.34
    2,6-dimethyl-4-heptanol 161.54
    DEF 885.31
    dimethyl isosorbide 609.39
    tetrachloroethylene 2354.56
    eugenol 541.45
    triacetin 560.29
    span 80 417.96
    1,4-butanediol 394.51
    1,1-dichloroethane 1970.87
    2-methyl-1-pentanol 436.34
    methyl formate 1084.93
    2-methyl-1-butanol 613.63
    n-decane 47.58
    butyronitrile 974.91
    3,7-dimethyl-1-octanol 269.25
    1-chlorooctane 251.69
    1-chlorotetradecane 93.08
    n-nonane 45.34
    undecane 36.36
    tert-butylcyclohexane 48.4
    cyclooctane 34.51
    cyclopentanol 1054.78
    tetrahydropyran 1178.53
    tert-amyl methyl ether 308.33
    2,5,8-trioxanonane 608.43
    1-hexene 220.12
    2-isopropoxyethanol 427.13
    2,2,2-trifluoroethanol 526.02
    methyl butyrate 671.96

    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