2-Ethyl-5-imino-1-cyclopenten-1-ol

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  • Identifiers

    CAS number
    90554-84-0

    Molecular formula
    C7H11NO

    SMILES
    CCC1=C(C(=N)CC1)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 49.83%
    Burnt 42.92%
    Sweet 39.6%
    Roasted 35.53%
    Nutty 27.89%
    Mint 27.64%
    Spicy 24.9%
    Coffee 23.72%
    Phenolic 23.56%
    Musty 21.61%

     

    Flavor
    Minty 27.58%
    Spicy 22.72%
    Maple 22.72%
    Spice 22.52%
    Roasted 22.23%
    Caramel 21.78%
    Maple syrup 21.59%
    Leaves 21.56%
    Basil 21.21%
    Bitter 20.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.25 (weak base)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 101.9 ˚C est.

  • Synonyms

    • 2-Ethyl-5-imino-1-cyclopenten-1-ol
    • 90554-84-0
    • RefChem:260605
    • 3-ethyl-2-hydroxy-2-cyclopentenimine
    • 2-ethyl-5-iminocyclopenten-1-ol
    • CHEBI:193630
    • DTXSID001297555
    • 2-ETHYL-5-IMINOCYCLOPENT-1-EN-1-OL
    • 90554-84-0

  • Applications

    2-Ethyl-5-imino-1-cyclopenten-1-ol (CAS 90554-84-0) is a synthetic intermediate with diverse industrial applications. In pharmaceuticals, it is used as a building block and precursor for heterocyclic compounds and related intermediates. In polymers/plastics and coatings/inks, it can function as a reactive intermediate for specialty resins and cross-linking systems. In fragrance and personal care, it may serve as a fragrance intermediate or precursor for aroma compounds. In agricultural chemistry, it is evaluated as a starting material for the synthesis of agrochemical agents and related intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 746.22
    methanol 1589.42
    isopropanol 467.61
    water 45.96
    ethyl acetate 192.77
    n-propanol 473.89
    acetone 363.44
    n-butanol 373.06
    acetonitrile 368.82
    DMF 522.88
    toluene 52.79
    isobutanol 326.3
    1,4-dioxane 711.57
    methyl acetate 245.9
    THF 626.62
    2-butanone 233.63
    n-pentanol 253.5
    sec-butanol 276.09
    n-hexane 19.85
    ethylene glycol 321.92
    NMP 286.17
    cyclohexane 15.48
    DMSO 689.79
    n-butyl acetate 188.56
    n-octanol 185.08
    chloroform 566.26
    n-propyl acetate 176.56
    acetic acid 509.15
    dichloromethane 462.59
    cyclohexanone 268.4
    propylene glycol 232.47
    isopropyl acetate 147.58
    DMAc 246.78
    2-ethoxyethanol 487.15
    isopentanol 305.16
    n-heptane 18.61
    ethyl formate 252.7
    1,2-dichloroethane 285.73
    n-hexanol 273.41
    2-methoxyethanol 730.67
    isobutyl acetate 128.61
    tetrachloromethane 147.52
    n-pentyl acetate 181.5
    transcutol 983.72
    n-heptanol 203.45
    ethylbenzene 50.26
    MIBK 168.91
    2-propoxyethanol 441.99
    tert-butanol 467.84
    MTBE 284.8
    2-butoxyethanol 357.98
    propionic acid 335.29
    o-xylene 55.18
    formic acid 531.33
    diethyl ether 234.34
    m-xylene 56.45
    p-xylene 72.64
    chlorobenzene 141.2
    dimethyl carbonate 97.53
    n-octane 14.01
    formamide 609.89
    cyclopentanone 408.24
    2-pentanone 191.7
    anisole 158.62
    cyclopentyl methyl ether 182.2
    gamma-butyrolactone 510.65
    1-methoxy-2-propanol 420.88
    pyridine 255.69
    3-pentanone 117.35
    furfural 458.05
    n-dodecane 13.2
    diethylene glycol 413.55
    diisopropyl ether 78.18
    tert-amyl alcohol 320.1
    acetylacetone 226.1
    n-hexadecane 14.11
    acetophenone 134.74
    methyl propionate 151.77
    isopentyl acetate 191.99
    trichloroethylene 504.7
    n-nonanol 152.69
    cyclohexanol 158.29
    benzyl alcohol 155.41
    2-ethylhexanol 134.62
    isooctanol 170.31
    dipropyl ether 109.16
    1,2-dichlorobenzene 138.34
    ethyl lactate 107.3
    propylene carbonate 258.73
    n-methylformamide 456.62
    2-pentanol 203.7
    n-pentane 19.54
    1-propoxy-2-propanol 268.87
    1-methoxy-2-propyl acetate 174.86
    2-(2-methoxypropoxy) propanol 208.92
    mesitylene 47.55
    ε-caprolactone 252.8
    p-cymene 48.84
    epichlorohydrin 530.42
    1,1,1-trichloroethane 252.31
    2-aminoethanol 494.2
    morpholine-4-carbaldehyde 400.09
    sulfolane 573.26
    2,2,4-trimethylpentane 19.25
    2-methyltetrahydrofuran 316.83
    n-hexyl acetate 231.92
    isooctane 20.61
    2-(2-butoxyethoxy)ethanol 346.88
    sec-butyl acetate 114.71
    tert-butyl acetate 193.03
    decalin 16.38
    glycerin 355.62
    diglyme 582.53
    acrylic acid 293.75
    isopropyl myristate 88.54
    n-butyric acid 376.14
    acetyl acetate 127.69
    di(2-ethylhexyl) phthalate 88.6
    ethyl propionate 123.08
    nitromethane 627.04
    1,2-diethoxyethane 290.22
    benzonitrile 191.85
    trioctyl phosphate 81.21
    1-bromopropane 136.72
    gamma-valerolactone 520.74
    n-decanol 110.13
    triethyl phosphate 67.14
    4-methyl-2-pentanol 150.08
    propionitrile 260.36
    vinylene carbonate 246.73
    1,1,2-trichlorotrifluoroethane 356.82
    DMS 138.29
    cumene 52.37
    2-octanol 141.91
    2-hexanone 175.5
    octyl acetate 115.23
    limonene 60.59
    1,2-dimethoxyethane 555.14
    ethyl orthosilicate 70.59
    tributyl phosphate 83.56
    diacetone alcohol 242.87
    N,N-dimethylaniline 106.94
    acrylonitrile 348.42
    aniline 138.81
    1,3-propanediol 537.73
    bromobenzene 121.33
    dibromomethane 288.72
    1,1,2,2-tetrachloroethane 363.83
    2-methyl-cyclohexyl acetate 109.94
    tetrabutyl urea 94.67
    diisobutyl methanol 95.01
    2-phenylethanol 170.76
    styrene 61.51
    dioctyl adipate 102.23
    dimethyl sulfate 163.64
    ethyl butyrate 124.55
    methyl lactate 133.76
    butyl lactate 148.58
    diethyl carbonate 88.0
    propanediol butyl ether 292.72
    triethyl orthoformate 97.18
    p-tert-butyltoluene 49.42
    methyl 4-tert-butylbenzoate 172.44
    morpholine 543.17
    tert-butylamine 298.28
    n-dodecanol 81.57
    dimethoxymethane 355.44
    ethylene carbonate 205.95
    cyrene 168.48
    2-ethoxyethyl acetate 228.55
    2-ethylhexyl acetate 128.22
    1,2,4-trichlorobenzene 157.4
    4-methylpyridine 208.05
    dibutyl ether 130.24
    2,6-dimethyl-4-heptanol 95.01
    DEF 185.42
    dimethyl isosorbide 290.95
    tetrachloroethylene 313.25
    eugenol 197.75
    triacetin 158.28
    span 80 185.55
    1,4-butanediol 260.37
    1,1-dichloroethane 279.77
    2-methyl-1-pentanol 211.48
    methyl formate 346.09
    2-methyl-1-butanol 263.34
    n-decane 21.07
    butyronitrile 253.99
    3,7-dimethyl-1-octanol 143.99
    1-chlorooctane 81.39
    1-chlorotetradecane 34.31
    n-nonane 18.87
    undecane 16.07
    tert-butylcyclohexane 21.83
    cyclooctane 7.86
    cyclopentanol 231.25
    tetrahydropyran 293.61
    tert-amyl methyl ether 152.48
    2,5,8-trioxanonane 360.03
    1-hexene 69.86
    2-isopropoxyethanol 305.54
    2,2,2-trifluoroethanol 225.51
    methyl butyrate 178.3

    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