5-Imino-2-methyl-1-cyclopenten-1-ol

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  • Identifiers

    CAS number
    61133-60-6

    Molecular formula
    C6H9NO

    SMILES
    CC1=C(C(=N)CC1)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 51.22%
    Burnt 46.5%
    Roasted 42.13%
    Sweet 30.45%
    Nutty 28.77%
    Coffee 27.8%
    Meaty 23.06%
    Popcorn 22.81%
    Odorless 22.23%
    Savory 21.39%

     

    Flavor
    Maple 27.52%
    Phenolic 25.89%
    Caramel 25.85%
    Roasted 25.43%
    Nutty 24.81%
    Maple syrup 23.64%
    Smoky 22.91%
    Minty 21.8%
    Leaves 21.45%
    Seedy 21.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.42 (neutral)

    Molecular weight
    111.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Melting point expt.

    • 95.2 - 96.2 °C

    Flash point

    • 94.81 ˚C est.

  • Synonyms

    • 5-Imino-2-methyl-1-cyclopenten-1-ol
    • 61133-60-6
    • RefChem:303492
    • 2-hydroxy-3-methyl-2-cyclopentenimine
    • CHEBI:179308
    • 5-imino-2-methylcyclopenten-1-ol
    • DTXSID601294735
    • 5-IMINO-2-METHYLCYCLOPENT-1-EN-1-OL
    • 61133-60-6

  • Applications

    5-Imino-2-methyl-1-cyclopenten-1-ol, CAS 61133-60-6, is considered an organic synthesis intermediate and a building block for heterocyclic frameworks in pharmaceutical and agrochemical R&D; it is commonly evaluated for conversion into chiral intermediates and diverse ring systems. The compound is often used as a precursor in medicinal chemistry workflows and for preparing related intermediates in drug discovery programs. In the polymers/plastics sector, it can function as a functional building block or reactive precursor for specialty polymers and resin formulations. In coatings and inks, it may be used as a reactive intermediate to enable crosslinking or functionalization of coating systems. Overall, its role is primarily as an intermediate with applications concentrated in pharmaceutical, agrochemical, and materials development, subject to formulation specifics and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 228.81
    methanol 503.79
    isopropanol 110.43
    water 90.35
    ethyl acetate 50.44
    n-propanol 142.49
    acetone 43.91
    n-butanol 133.38
    acetonitrile 55.77
    DMF 89.96
    toluene 8.73
    isobutanol 96.7
    1,4-dioxane 115.44
    methyl acetate 47.08
    THF 160.21
    2-butanone 41.19
    n-pentanol 83.8
    sec-butanol 85.58
    n-hexane 3.82
    ethylene glycol 112.41
    NMP 58.57
    cyclohexane 2.81
    DMSO 118.01
    n-butyl acetate 37.47
    n-octanol 46.6
    chloroform 91.98
    n-propyl acetate 32.21
    acetic acid 237.25
    dichloromethane 66.74
    cyclohexanone 48.25
    propylene glycol 81.37
    isopropyl acetate 38.17
    DMAc 80.81
    2-ethoxyethanol 180.81
    isopentanol 118.3
    n-heptane 4.53
    ethyl formate 64.05
    1,2-dichloroethane 35.17
    n-hexanol 73.06
    2-methoxyethanol 282.15
    isobutyl acetate 24.92
    tetrachloromethane 30.68
    n-pentyl acetate 44.91
    transcutol 401.38
    n-heptanol 66.29
    ethylbenzene 7.87
    MIBK 46.36
    2-propoxyethanol 136.51
    tert-butanol 125.88
    MTBE 66.44
    2-butoxyethanol 126.32
    propionic acid 99.31
    o-xylene 11.92
    formic acid 385.44
    diethyl ether 48.39
    m-xylene 11.92
    p-xylene 12.52
    chlorobenzene 19.42
    dimethyl carbonate 25.09
    n-octane 3.21
    formamide 401.02
    cyclopentanone 70.97
    2-pentanone 40.34
    anisole 34.12
    cyclopentyl methyl ether 43.92
    gamma-butyrolactone 100.77
    1-methoxy-2-propanol 144.67
    pyridine 46.22
    3-pentanone 24.0
    furfural 114.49
    n-dodecane 2.61
    diethylene glycol 152.27
    diisopropyl ether 20.32
    tert-amyl alcohol 114.1
    acetylacetone 48.34
    n-hexadecane 2.74
    acetophenone 33.04
    methyl propionate 36.5
    isopentyl acetate 41.83
    trichloroethylene 72.8
    n-nonanol 43.28
    cyclohexanol 44.18
    benzyl alcohol 39.95
    2-ethylhexanol 38.71
    isooctanol 56.6
    dipropyl ether 26.18
    1,2-dichlorobenzene 24.2
    ethyl lactate 29.83
    propylene carbonate 57.72
    n-methylformamide 123.64
    2-pentanol 70.17
    n-pentane 5.22
    1-propoxy-2-propanol 81.25
    1-methoxy-2-propyl acetate 49.07
    2-(2-methoxypropoxy) propanol 94.36
    mesitylene 10.75
    ε-caprolactone 54.83
    p-cymene 12.37
    epichlorohydrin 102.29
    1,1,1-trichloroethane 38.44
    2-aminoethanol 196.29
    morpholine-4-carbaldehyde 106.99
    sulfolane 96.95
    2,2,4-trimethylpentane 5.41
    2-methyltetrahydrofuran 70.73
    n-hexyl acetate 50.5
    isooctane 5.47
    2-(2-butoxyethoxy)ethanol 142.49
    sec-butyl acetate 24.51
    tert-butyl acetate 57.44
    decalin 3.14
    glycerin 153.06
    diglyme 225.2
    acrylic acid 95.77
    isopropyl myristate 23.5
    n-butyric acid 130.51
    acetyl acetate 40.07
    di(2-ethylhexyl) phthalate 32.42
    ethyl propionate 25.05
    nitromethane 180.49
    1,2-diethoxyethane 85.67
    benzonitrile 32.75
    trioctyl phosphate 23.93
    1-bromopropane 18.85
    gamma-valerolactone 111.13
    n-decanol 30.95
    triethyl phosphate 20.22
    4-methyl-2-pentanol 59.2
    propionitrile 40.41
    vinylene carbonate 56.81
    1,1,2-trichlorotrifluoroethane 106.59
    DMS 32.87
    cumene 10.97
    2-octanol 40.05
    2-hexanone 33.25
    octyl acetate 29.75
    limonene 14.58
    1,2-dimethoxyethane 144.91
    ethyl orthosilicate 23.1
    tributyl phosphate 25.65
    diacetone alcohol 84.09
    N,N-dimethylaniline 28.49
    acrylonitrile 53.44
    aniline 33.39
    1,3-propanediol 223.39
    bromobenzene 14.26
    dibromomethane 38.2
    1,1,2,2-tetrachloroethane 60.83
    2-methyl-cyclohexyl acetate 32.67
    tetrabutyl urea 28.7
    diisobutyl methanol 30.6
    2-phenylethanol 47.91
    styrene 8.57
    dioctyl adipate 31.61
    dimethyl sulfate 40.39
    ethyl butyrate 32.41
    methyl lactate 41.7
    butyl lactate 49.33
    diethyl carbonate 22.3
    propanediol butyl ether 100.54
    triethyl orthoformate 29.47
    p-tert-butyltoluene 13.08
    methyl 4-tert-butylbenzoate 60.86
    morpholine 118.08
    tert-butylamine 81.09
    n-dodecanol 22.28
    dimethoxymethane 90.8
    ethylene carbonate 44.99
    cyrene 66.6
    2-ethoxyethyl acetate 66.89
    2-ethylhexyl acetate 27.84
    1,2,4-trichlorobenzene 27.98
    4-methylpyridine 34.8
    dibutyl ether 31.04
    2,6-dimethyl-4-heptanol 30.6
    DEF 44.21
    dimethyl isosorbide 106.68
    tetrachloroethylene 65.86
    eugenol 70.8
    triacetin 52.97
    span 80 76.39
    1,4-butanediol 99.54
    1,1-dichloroethane 31.84
    2-methyl-1-pentanol 82.84
    methyl formate 78.97
    2-methyl-1-butanol 101.54
    n-decane 4.24
    butyronitrile 48.79
    3,7-dimethyl-1-octanol 45.37
    1-chlorooctane 15.29
    1-chlorotetradecane 6.73
    n-nonane 3.73
    undecane 3.19
    tert-butylcyclohexane 4.64
    cyclooctane 1.84
    cyclopentanol 56.41
    tetrahydropyran 51.97
    tert-amyl methyl ether 48.9
    2,5,8-trioxanonane 152.84
    1-hexene 11.57
    2-isopropoxyethanol 111.08
    2,2,2-trifluoroethanol 126.03
    methyl butyrate 36.97

    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