Cycloionone

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  • Identifiers

    CAS number
    5552-30-7

    Molecular formula
    C13H20O

    SMILES
    CC1=CC=C2C(CCCC2(O1)C)(C)C

  • Odor profile

    Fragrance
    Fruity 77.45%
    Woody 75.35%
    Floral 72.38%
    Sweet 66.62%
    Berry 57.73%
    Raspberry 48.34%
    Powdery 46.97%
    Tobacco 46.26%
    Orris 39.95%
    Spicy 36.02%

     

    Flavor
    Woody 39.93%
    Camphor 34.86%
    Herbal 30.23%
    Earthy 25.99%
    Dry 25.18%
    Mint 24.93%
    Pine 23.82%
    Wood 23.53%
    Sweet 22.09%
    Minty 21.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.1 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 240.00 °C. @ 760.00 mm Hg

    Flash point

    • 95.01 ˚C est.

    Solubility expt.

    • Insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • Cycloionone
    • 5552-30-7
    • 6,7,8,8a-Tetrahydro-2,5,5,8a-tetramethyl-5H-1-benzopyran
    • UNII-9Q35X5W89M
    • 5H-1-Benzopyran, 6,7,8,8a-tetrahydro-2,5,5,8a-tetramethyl-
    • 9Q35X5W89M
    • EINECS 226-916-2
    • 2,5,5,8a-Tetramethyl-6,7,8,8a-tetrahydro-5H-1-benzopyran
    • CYCLOIONONE [FHFI]
    • (+/-)-CYCLOIONONE
    • 2,5,5,8a-tetramethyl-6,7,8,8a-tetrahydro-5H-chromene
    • FEMA NO. 3822
    • CYCLOIONONE, (+/-)-
    • 6,7,8,8a-Tetrahydro-2,5,5,8a-tetramethyl-(5H)-1-benzopyran
    • DTXSID20863558
    • 5H-Benzopyran, 6,7,8,8a-tetrahydro-2,5,8a-tetramethyl-
    • SCHEMBL20319945
    • FEMA 3822
    • DTXCID70812157
    • NS00044240
    • Q27272881
    • 6,7,8,8a-Tetrahydro-2,5,8a-tetramethyl-5H-Benzopyran

  • Applications

    Cycloionone, CAS 5552-30-7, is primarily used in perfumery as a fragrance ingredient and odorant, serving as a building block or intermediate in the synthesis of ionone-type aroma notes; it is also evaluated for use in cosmetics/personal care to impart fragrance, and in household products to deliver a characteristic scent, and in industrial manufacturing it may serve as an aroma intermediate for fragrance chemistry; in coatings, inks, and polymer applications it may be used as a fragrance additive or scent-release component in formulations; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.62
    methanol 139.15
    isopropanol 83.05
    water 0.93
    ethyl acetate 218.76
    n-propanol 108.3
    acetone 159.32
    n-butanol 111.85
    acetonitrile 224.41
    DMF 228.25
    toluene 397.43
    isobutanol 97.87
    1,4-dioxane 461.33
    methyl acetate 213.97
    THF 544.31
    2-butanone 199.36
    n-pentanol 97.5
    sec-butanol 100.29
    n-hexane 96.07
    ethylene glycol 21.94
    NMP 398.2
    cyclohexane 245.4
    DMSO 128.55
    n-butyl acetate 242.31
    n-octanol 151.41
    chloroform 906.44
    n-propyl acetate 147.59
    acetic acid 117.07
    dichloromethane 713.04
    cyclohexanone 417.86
    propylene glycol 27.7
    isopropyl acetate 140.71
    DMAc 267.49
    2-ethoxyethanol 99.74
    isopentanol 106.84
    n-heptane 113.86
    ethyl formate 132.19
    1,2-dichloroethane 308.36
    n-hexanol 229.44
    2-methoxyethanol 151.03
    isobutyl acetate 119.89
    tetrachloromethane 189.74
    n-pentyl acetate 188.03
    transcutol 432.51
    n-heptanol 125.14
    ethylbenzene 200.96
    MIBK 130.25
    2-propoxyethanol 250.87
    tert-butanol 109.84
    MTBE 154.24
    2-butoxyethanol 144.59
    propionic acid 115.74
    o-xylene 245.46
    formic acid 39.55
    diethyl ether 219.25
    m-xylene 266.24
    p-xylene 250.87
    chlorobenzene 371.75
    dimethyl carbonate 104.96
    n-octane 41.78
    formamide 54.97
    cyclopentanone 382.81
    2-pentanone 169.91
    anisole 255.29
    cyclopentyl methyl ether 344.43
    gamma-butyrolactone 425.21
    1-methoxy-2-propanol 127.71
    pyridine 404.58
    3-pentanone 193.81
    furfural 341.91
    n-dodecane 36.92
    diethylene glycol 134.5
    diisopropyl ether 94.25
    tert-amyl alcohol 112.91
    acetylacetone 188.34
    n-hexadecane 42.49
    acetophenone 229.54
    methyl propionate 193.9
    isopentyl acetate 212.38
    trichloroethylene 626.31
    n-nonanol 136.46
    cyclohexanol 203.15
    benzyl alcohol 152.52
    2-ethylhexanol 182.04
    isooctanol 103.96
    dipropyl ether 214.01
    1,2-dichlorobenzene 342.74
    ethyl lactate 82.8
    propylene carbonate 251.74
    n-methylformamide 119.39
    2-pentanol 91.63
    n-pentane 83.12
    1-propoxy-2-propanol 190.39
    1-methoxy-2-propyl acetate 230.44
    2-(2-methoxypropoxy) propanol 189.97
    mesitylene 171.63
    ε-caprolactone 355.94
    p-cymene 169.25
    epichlorohydrin 372.5
    1,1,1-trichloroethane 376.46
    2-aminoethanol 50.1
    morpholine-4-carbaldehyde 384.89
    sulfolane 362.38
    2,2,4-trimethylpentane 42.81
    2-methyltetrahydrofuran 431.32
    n-hexyl acetate 288.16
    isooctane 31.85
    2-(2-butoxyethoxy)ethanol 216.01
    sec-butyl acetate 122.2
    tert-butyl acetate 151.4
    decalin 95.75
    glycerin 41.68
    diglyme 351.95
    acrylic acid 107.49
    isopropyl myristate 131.59
    n-butyric acid 150.23
    acetyl acetate 175.86
    di(2-ethylhexyl) phthalate 128.67
    ethyl propionate 163.23
    nitromethane 211.18
    1,2-diethoxyethane 215.44
    benzonitrile 273.43
    trioctyl phosphate 91.35
    1-bromopropane 284.9
    gamma-valerolactone 440.73
    n-decanol 103.52
    triethyl phosphate 121.52
    4-methyl-2-pentanol 68.22
    propionitrile 203.08
    vinylene carbonate 284.97
    1,1,2-trichlorotrifluoroethane 218.74
    DMS 232.18
    cumene 148.0
    2-octanol 95.72
    2-hexanone 159.66
    octyl acetate 164.89
    limonene 219.82
    1,2-dimethoxyethane 246.47
    ethyl orthosilicate 121.79
    tributyl phosphate 113.44
    diacetone alcohol 126.07
    N,N-dimethylaniline 195.57
    acrylonitrile 209.42
    aniline 225.12
    1,3-propanediol 67.3
    bromobenzene 463.82
    dibromomethane 504.45
    1,1,2,2-tetrachloroethane 460.59
    2-methyl-cyclohexyl acetate 207.01
    tetrabutyl urea 142.48
    diisobutyl methanol 96.93
    2-phenylethanol 228.5
    styrene 216.27
    dioctyl adipate 167.22
    dimethyl sulfate 131.93
    ethyl butyrate 202.96
    methyl lactate 79.21
    butyl lactate 124.28
    diethyl carbonate 150.72
    propanediol butyl ether 121.62
    triethyl orthoformate 160.75
    p-tert-butyltoluene 159.54
    methyl 4-tert-butylbenzoate 223.06
    morpholine 399.31
    tert-butylamine 101.29
    n-dodecanol 82.65
    dimethoxymethane 213.4
    ethylene carbonate 236.52
    cyrene 175.45
    2-ethoxyethyl acetate 223.45
    2-ethylhexyl acetate 214.14
    1,2,4-trichlorobenzene 377.96
    4-methylpyridine 410.36
    dibutyl ether 175.52
    2,6-dimethyl-4-heptanol 96.93
    DEF 212.08
    dimethyl isosorbide 351.99
    tetrachloroethylene 339.27
    eugenol 190.42
    triacetin 251.4
    span 80 186.61
    1,4-butanediol 34.92
    1,1-dichloroethane 318.82
    2-methyl-1-pentanol 105.93
    methyl formate 117.54
    2-methyl-1-butanol 113.02
    n-decane 58.86
    butyronitrile 192.19
    3,7-dimethyl-1-octanol 140.76
    1-chlorooctane 165.34
    1-chlorotetradecane 74.24
    n-nonane 59.07
    undecane 45.33
    tert-butylcyclohexane 74.66
    cyclooctane 102.37
    cyclopentanol 177.95
    tetrahydropyran 458.88
    tert-amyl methyl ether 151.23
    2,5,8-trioxanonane 290.31
    1-hexene 162.95
    2-isopropoxyethanol 89.17
    2,2,2-trifluoroethanol 57.1
    methyl butyrate 179.4

    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