3-Ethoxycyclohex-2-ene-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5323-87-5

    Molecular formula
    C8H12O2

    SMILES
    CCOC1=CC(=O)CCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 64.47%
    Fruity 59.3%
    Sweet 52.05%
    Nutty 45.09%
    Buttery 35.45%
    Coumarinic 35.37%
    Mint 34.91%
    Burnt 33.82%
    Herbal 32.23%
    Roasted 31.45%

     

    Flavor
    Fruity 53.78%
    Caramel 35.4%
    Minty 31.34%
    Sweet 30.15%
    Fatty 25.01%
    Buttery 23.37%
    Fruit 23.2%
    Mildew 20.61%
    Toffee 20.24%
    Extremely sweet 20.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.28 (neutral)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 76.87 ˚C est.

  • Synonyms

    • 3-Ethoxy-2-cyclohexen-1-one
    • 5323-87-5
    • 2-Cyclohexen-1-one, 3-ethoxy-
    • 3-Ethoxycyclohex-2-ene-1-one
    • AI3-17967
    • EINECS 226-190-7
    • DTXSID30201326
    • NSC 2826
    • RefChem:501211
    • DTXCID30123817
    • 226-190-7
    • 3-Ethoxycyclohex-2-enone
    • 3-ethoxycyclohex-2-en-1-one
    • 3-Ethoxy-2-cyclohexenone
    • MFCD00001580
    • 3-Ethoxy-2-cyclohexene-1-one
    • 3-Ethoxy-cyclohex-2-enone
    • NSC-2826
    • NSC2826
    • 3-ethoxy-2-cyclohexen-one
    • DV46J47XJS
    • SCHEMBL99907
    • 3-Ethoxy-2-cyclohexenone, 99%
    • 3-(ethyloxy)-2-cyclohexen-1-one
    • AKOS004902428
    • CS-12385
    • SY048535
    • CS-0100015
    • E0384
    • NS00032685
    • ST50823690
    • EN300-156157
    • F049921
    • 5323-87-5

  • Applications

    3-Ethoxycyclohex-2-ene-1-one (CAS 5323-87-5) is primarily used as an organic synthesis intermediate, enabling the preparation of fragrance-related compounds in the fragrance chemistry sector. It is also evaluated as a building block for pharmaceutical intermediates. Additionally, as a functional enone, it can serve as a precursor for polymer and plastic formulations, and is considered for use in coatings and inks as a reactive intermediate. In cosmetics and personal care, it may be evaluated as a precursor to specialty fragrance ingredients. Overall, its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 300.23
    methanol 443.34
    isopropanol 232.91
    water 3.9
    ethyl acetate 214.08
    n-propanol 216.53
    acetone 371.15
    n-butanol 206.33
    acetonitrile 421.03
    DMF 595.62
    toluene 164.69
    isobutanol 175.37
    1,4-dioxane 464.39
    methyl acetate 256.2
    THF 513.85
    2-butanone 248.37
    n-pentanol 133.68
    sec-butanol 185.01
    n-hexane 36.79
    ethylene glycol 154.39
    NMP 647.5
    cyclohexane 96.96
    DMSO 759.01
    n-butyl acetate 163.31
    n-octanol 134.94
    chloroform 1319.49
    n-propyl acetate 135.17
    acetic acid 504.07
    dichloromethane 1293.49
    cyclohexanone 468.28
    propylene glycol 144.06
    isopropyl acetate 122.25
    DMAc 530.28
    2-ethoxyethanol 195.03
    isopentanol 162.33
    n-heptane 41.66
    ethyl formate 204.45
    1,2-dichloroethane 515.09
    n-hexanol 184.63
    2-methoxyethanol 366.67
    isobutyl acetate 91.66
    tetrachloromethane 180.06
    n-pentyl acetate 120.21
    transcutol 765.66
    n-heptanol 88.26
    ethylbenzene 110.33
    MIBK 128.41
    2-propoxyethanol 275.3
    tert-butanol 285.01
    MTBE 159.76
    2-butoxyethanol 144.06
    propionic acid 290.94
    o-xylene 138.41
    formic acid 163.59
    diethyl ether 176.68
    m-xylene 131.42
    p-xylene 136.46
    chlorobenzene 335.3
    dimethyl carbonate 124.31
    n-octane 18.04
    formamide 201.45
    cyclopentanone 492.32
    2-pentanone 198.6
    anisole 225.93
    cyclopentyl methyl ether 235.86
    gamma-butyrolactone 590.89
    1-methoxy-2-propanol 271.7
    pyridine 414.71
    3-pentanone 177.03
    furfural 586.94
    n-dodecane 21.55
    diethylene glycol 269.76
    diisopropyl ether 58.86
    tert-amyl alcohol 204.7
    acetylacetone 262.11
    n-hexadecane 24.29
    acetophenone 219.59
    methyl propionate 209.14
    isopentyl acetate 145.5
    trichloroethylene 1035.23
    n-nonanol 112.13
    cyclohexanol 254.07
    benzyl alcohol 198.89
    2-ethylhexanol 118.27
    isooctanol 75.76
    dipropyl ether 125.13
    1,2-dichlorobenzene 325.17
    ethyl lactate 112.78
    propylene carbonate 335.13
    n-methylformamide 278.71
    2-pentanol 128.55
    n-pentane 44.06
    1-propoxy-2-propanol 201.67
    1-methoxy-2-propyl acetate 180.16
    2-(2-methoxypropoxy) propanol 235.49
    mesitylene 93.72
    ε-caprolactone 367.74
    p-cymene 86.34
    epichlorohydrin 540.13
    1,1,1-trichloroethane 491.32
    2-aminoethanol 196.94
    morpholine-4-carbaldehyde 579.08
    sulfolane 762.67
    2,2,4-trimethylpentane 25.05
    2-methyltetrahydrofuran 340.44
    n-hexyl acetate 225.9
    isooctane 18.49
    2-(2-butoxyethoxy)ethanol 265.29
    sec-butyl acetate 88.74
    tert-butyl acetate 142.24
    decalin 44.66
    glycerin 215.72
    diglyme 443.02
    acrylic acid 306.29
    isopropyl myristate 105.44
    n-butyric acid 299.17
    acetyl acetate 195.43
    di(2-ethylhexyl) phthalate 121.51
    ethyl propionate 139.54
    nitromethane 638.67
    1,2-diethoxyethane 193.03
    benzonitrile 335.97
    trioctyl phosphate 84.59
    1-bromopropane 280.66
    gamma-valerolactone 538.97
    n-decanol 86.91
    triethyl phosphate 105.49
    4-methyl-2-pentanol 78.36
    propionitrile 284.86
    vinylene carbonate 362.78
    1,1,2-trichlorotrifluoroethane 445.59
    DMS 201.36
    cumene 88.06
    2-octanol 69.34
    2-hexanone 147.96
    octyl acetate 132.44
    limonene 127.42
    1,2-dimethoxyethane 373.63
    ethyl orthosilicate 92.53
    tributyl phosphate 105.78
    diacetone alcohol 185.86
    N,N-dimethylaniline 171.7
    acrylonitrile 383.04
    aniline 232.29
    1,3-propanediol 220.63
    bromobenzene 369.05
    dibromomethane 784.28
    1,1,2,2-tetrachloroethane 747.74
    2-methyl-cyclohexyl acetate 149.39
    tetrabutyl urea 143.08
    diisobutyl methanol 74.12
    2-phenylethanol 177.74
    styrene 150.61
    dioctyl adipate 172.15
    dimethyl sulfate 237.19
    ethyl butyrate 151.82
    methyl lactate 155.52
    butyl lactate 120.89
    diethyl carbonate 138.12
    propanediol butyl ether 186.82
    triethyl orthoformate 109.45
    p-tert-butyltoluene 81.72
    methyl 4-tert-butylbenzoate 211.04
    morpholine 438.47
    tert-butylamine 192.84
    n-dodecanol 71.45
    dimethoxymethane 281.45
    ethylene carbonate 268.86
    cyrene 218.06
    2-ethoxyethyl acetate 167.53
    2-ethylhexyl acetate 117.85
    1,2,4-trichlorobenzene 379.17
    4-methylpyridine 400.91
    dibutyl ether 127.97
    2,6-dimethyl-4-heptanol 74.12
    DEF 293.77
    dimethyl isosorbide 344.44
    tetrachloroethylene 483.65
    eugenol 204.21
    triacetin 266.32
    span 80 209.2
    1,4-butanediol 103.74
    1,1-dichloroethane 494.87
    2-methyl-1-pentanol 130.58
    methyl formate 247.48
    2-methyl-1-butanol 162.44
    n-decane 30.31
    butyronitrile 283.67
    3,7-dimethyl-1-octanol 128.46
    1-chlorooctane 106.37
    1-chlorotetradecane 52.59
    n-nonane 29.25
    undecane 24.87
    tert-butylcyclohexane 39.01
    cyclooctane 29.43
    cyclopentanol 278.25
    tetrahydropyran 353.74
    tert-amyl methyl ether 130.14
    2,5,8-trioxanonane 379.02
    1-hexene 100.05
    2-isopropoxyethanol 137.99
    2,2,2-trifluoroethanol 159.11
    methyl butyrate 186.03

    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