Cyclohex-3-en-1-one

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  • Identifiers

    CAS number
    4096-34-8

    Molecular formula
    C6H8O

    SMILES
    C1CC(=O)CC=C1

  • Odor profile

    Mint 62.34%
    Green 47.51%
    Herbal 40.19%
    Ketonic 37.82%
    Nutty 35.16%
    Coumarinic 34.11%
    Musty 31.66%
    Woody 30.92%
    Hay 29.84%
    Roasted 29.02%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    96.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point est.
    41.54 ˚C

  • Synonyms

    • Cyclohex-3-en-1-one
    • 3-Cyclohexen-1-one
    • 4096-34-8
    • Cyclohex-3-enone
    • EINECS 223-850-6
    • 3-cyclohexenone
    • CHEBI:48952
    • DTXSID80193964
    • VNLZLLDMKRKVEX-UHFFFAOYSA-N
    • MFCD00100914
    • AKOS024046890
    • NS00030889
    • G71531
    • EN300-1268277
    • Q27121400

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 380.49
    methanol 434.89
    isopropanol 259.54
    water 8.04
    ethyl acetate 214.25
    n-propanol 271.69
    acetone 359.52
    n-butanol 213.4
    acetonitrile 443.79
    DMF 468.58
    toluene 66.92
    isobutanol 167.15
    1,4-dioxane 373.51
    methyl acetate 264.49
    THF 329.9
    2-butanone 271.35
    n-pentanol 163.62
    sec-butanol 200.56
    n-hexane 22.22
    ethylene glycol 103.7
    NMP 305.86
    cyclohexane 14.65
    DMSO 399.38
    n-butyl acetate 114.01
    n-octanol 93.61
    chloroform 855.6
    n-propyl acetate 116.78
    acetic acid 557.1
    dichloromethane 546.06
    cyclohexanone 233.27
    propylene glycol 155.32
    isopropyl acetate 103.79
    DMAc 331.63
    2-ethoxyethanol 214.24
    isopentanol 165.52
    n-heptane 14.21
    ethyl formate 137.0
    1,2-dichloroethane 232.94
    n-hexanol 141.55
    2-methoxyethanol 343.58
    isobutyl acetate 71.15
    tetrachloromethane 81.48
    n-pentyl acetate 98.73
    transcutol 1135.41
    n-heptanol 82.88
    ethylbenzene 46.76
    MIBK 102.93
    2-propoxyethanol 217.48
    tert-butanol 222.56
    MTBE 120.22
    2-butoxyethanol 162.68
    propionic acid 330.83
    o-xylene 54.38
    formic acid 190.31
    diethyl ether 157.24
    m-xylene 53.59
    p-xylene 70.38
    chlorobenzene 143.89
    dimethyl carbonate 76.66
    n-octane 7.02
    formamide 261.58
    cyclopentanone 319.82
    2-pentanone 169.18
    anisole 133.97
    cyclopentyl methyl ether 125.26
    gamma-butyrolactone 378.04
    1-methoxy-2-propanol 264.62
    pyridine 387.13
    3-pentanone 131.56
    furfural 333.33
    n-dodecane 6.81
    diethylene glycol 200.82
    diisopropyl ether 38.48
    tert-amyl alcohol 173.94
    acetylacetone 190.55
    n-hexadecane 7.34
    acetophenone 124.52
    methyl propionate 172.08
    isopentyl acetate 92.15
    trichloroethylene 557.28
    n-nonanol 80.05
    cyclohexanol 120.15
    benzyl alcohol 129.18
    2-ethylhexanol 75.08
    isooctanol 66.05
    dipropyl ether 73.72
    1,2-dichlorobenzene 123.24
    ethyl lactate 70.79
    propylene carbonate 181.2
    n-methylformamide 297.38
    2-pentanol 136.04
    n-pentane 16.53
    1-propoxy-2-propanol 155.68
    1-methoxy-2-propyl acetate 109.37
    2-(2-methoxypropoxy) propanol 179.52
    mesitylene 32.23
    ε-caprolactone 209.9
    p-cymene 31.65
    epichlorohydrin 330.4
    1,1,1-trichloroethane 246.7
    2-aminoethanol 225.37
    morpholine-4-carbaldehyde 364.48
    sulfolane 304.83
    2,2,4-trimethylpentane 11.26
    2-methyltetrahydrofuran 219.76
    n-hexyl acetate 149.98
    isooctane 8.78
    2-(2-butoxyethoxy)ethanol 272.12
    sec-butyl acetate 74.93
    tert-butyl acetate 100.25
    decalin 13.71
    glycerin 186.46
    diglyme 413.09
    acrylic acid 325.17
    isopropyl myristate 51.76
    n-butyric acid 297.21
    acetyl acetate 132.59
    di(2-ethylhexyl) phthalate 58.93
    ethyl propionate 99.17
    nitromethane 684.27
    1,2-diethoxyethane 208.28
    benzonitrile 196.51
    trioctyl phosphate 39.28
    1-bromopropane 143.74
    gamma-valerolactone 362.11
    n-decanol 56.6
    triethyl phosphate 43.1
    4-methyl-2-pentanol 79.41
    propionitrile 261.92
    vinylene carbonate 183.43
    1,1,2-trichlorotrifluoroethane 311.41
    DMS 117.8
    cumene 38.25
    2-octanol 56.73
    2-hexanone 136.95
    octyl acetate 72.3
    limonene 43.61
    1,2-dimethoxyethane 251.89
    ethyl orthosilicate 43.09
    tributyl phosphate 52.72
    diacetone alcohol 145.36
    N,N-dimethylaniline 86.68
    acrylonitrile 367.88
    aniline 163.14
    1,3-propanediol 209.2
    bromobenzene 125.25
    dibromomethane 331.11
    1,1,2,2-tetrachloroethane 391.17
    2-methyl-cyclohexyl acetate 70.06
    tetrabutyl urea 64.37
    diisobutyl methanol 45.81
    2-phenylethanol 110.73
    styrene 69.23
    dioctyl adipate 85.46
    dimethyl sulfate 123.24
    ethyl butyrate 83.64
    methyl lactate 107.12
    butyl lactate 94.87
    diethyl carbonate 59.85
    propanediol butyl ether 192.91
    triethyl orthoformate 59.59
    p-tert-butyltoluene 28.73
    methyl 4-tert-butylbenzoate 108.97
    morpholine 400.96
    tert-butylamine 131.38
    n-dodecanol 41.09
    dimethoxymethane 182.69
    ethylene carbonate 132.33
    cyrene 119.01
    2-ethoxyethyl acetate 148.88
    2-ethylhexyl acetate 70.28
    1,2,4-trichlorobenzene 155.62
    4-methylpyridine 265.55
    dibutyl ether 95.46
    2,6-dimethyl-4-heptanol 45.81
    DEF 193.05
    dimethyl isosorbide 191.16
    tetrachloroethylene 256.65
    eugenol 125.47
    triacetin 168.56
    span 80 153.69
    1,4-butanediol 96.38
    1,1-dichloroethane 294.93
    2-methyl-1-pentanol 134.18
    methyl formate 175.21
    2-methyl-1-butanol 155.52
    n-decane 10.99
    butyronitrile 220.79
    3,7-dimethyl-1-octanol 86.87
    1-chlorooctane 44.87
    1-chlorotetradecane 18.01
    n-nonane 10.5
    undecane 8.32
    tert-butylcyclohexane 15.19
    cyclooctane 6.16
    cyclopentanol 153.14
    tetrahydropyran 230.32
    tert-amyl methyl ether 89.47
    2,5,8-trioxanonane 288.92
    1-hexene 80.75
    2-isopropoxyethanol 144.52
    2,2,2-trifluoroethanol 164.42
    methyl butyrate 129.64

    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