CID 22726405

Overview IFRA Request a quote

  • Identifiers

    CAS number
    54992-90-4

    Molecular formula
    C14H24O

    SMILES
    CC1CCC(C(C1/C=C/C(=O)C)(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 92.14%
    Floral 71.1%
    Violet 66.76%
    Sweet 63.69%
    Orris 59.22%
    Powdery 57.39%
    Berry 50.65%
    Dry 49.2%
    Amber 44.76%
    Fruity 40.68%

     

    Flavor
    Woody 84.01%
    Floral 70.52%
    Sweet 65.05%
    Violet 51.16%
    Orris 46.35%
    Tropical 43.18%
    Fruity 39.66%
    Powdery 37.5%
    Herbal 37.48%
    Wood 35.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.98 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    279°C

    Flash point

    • 108.73 ˚C est.

  • Synonyms

    • 54992-90-4
    • SCHEMBL1404266
    • SCHEMBL17627659
    • ZNWOKRUGFTXKDK-CMDGGOBGSA-N
    • (E)-4-(2,2,3,6-tetramethylcyclohexyl)but-3-en-2-one

  • Applications

    CID 22726405 (CAS 54992-90-4) is described as an organic synthesis intermediate with applications across industrial manufacturing; it may function as a solvent or co-solvent in formulations and processing; it can serve as a processing aid in polymers and plastics, and as an additive in coatings and inks. In perfumery and cosmetics/personal care, it may be used as an odorant or fragrance component in formulations with restricted dosing and regulatory compliance. Cleaning formulations may also consider it as a solvent or additive in certain systems. Uses depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 917.31
    methanol 680.49
    isopropanol 783.81
    water 0.67
    ethyl acetate 1448.98
    n-propanol 836.27
    acetone 1431.32
    n-butanol 833.24
    acetonitrile 1072.39
    DMF 1279.72
    toluene 1219.57
    isobutanol 582.75
    1,4-dioxane 2482.3
    methyl acetate 1036.29
    THF 3516.28
    2-butanone 1326.94
    n-pentanol 346.97
    sec-butanol 585.86
    n-hexane 161.83
    ethylene glycol 70.2
    NMP 1097.52
    cyclohexane 425.51
    DMSO 699.28
    n-butyl acetate 1028.85
    n-octanol 262.9
    chloroform 2737.7
    n-propyl acetate 560.21
    acetic acid 395.24
    dichloromethane 2274.84
    cyclohexanone 1726.76
    propylene glycol 150.4
    isopropyl acetate 916.54
    DMAc 831.08
    2-ethoxyethanol 384.16
    isopentanol 677.73
    n-heptane 107.45
    ethyl formate 561.84
    1,2-dichloroethane 1525.38
    n-hexanol 818.9
    2-methoxyethanol 857.11
    isobutyl acetate 395.23
    tetrachloromethane 552.6
    n-pentyl acetate 453.14
    transcutol 2628.5
    n-heptanol 281.25
    ethylbenzene 437.51
    MIBK 652.38
    2-propoxyethanol 1037.06
    tert-butanol 928.74
    MTBE 1317.89
    2-butoxyethanol 457.31
    propionic acid 450.05
    o-xylene 555.53
    formic acid 113.11
    diethyl ether 1553.61
    m-xylene 769.8
    p-xylene 529.33
    chlorobenzene 1198.61
    dimethyl carbonate 380.08
    n-octane 33.29
    formamide 240.77
    cyclopentanone 1976.57
    2-pentanone 1182.9
    anisole 725.15
    cyclopentyl methyl ether 1496.84
    gamma-butyrolactone 1941.05
    1-methoxy-2-propanol 828.7
    pyridine 1506.17
    3-pentanone 876.49
    furfural 1158.74
    n-dodecane 21.45
    diethylene glycol 461.1
    diisopropyl ether 476.44
    tert-amyl alcohol 629.89
    acetylacetone 1069.32
    n-hexadecane 26.6
    acetophenone 520.23
    methyl propionate 947.99
    isopentyl acetate 864.32
    trichloroethylene 2564.23
    n-nonanol 227.0
    cyclohexanol 790.22
    benzyl alcohol 404.49
    2-ethylhexanol 434.45
    isooctanol 230.43
    dipropyl ether 637.69
    1,2-dichlorobenzene 903.73
    ethyl lactate 203.86
    propylene carbonate 901.89
    n-methylformamide 564.92
    2-pentanol 540.89
    n-pentane 191.45
    1-propoxy-2-propanol 790.89
    1-methoxy-2-propyl acetate 1015.09
    2-(2-methoxypropoxy) propanol 462.59
    mesitylene 462.21
    ε-caprolactone 1337.92
    p-cymene 263.89
    epichlorohydrin 2175.79
    1,1,1-trichloroethane 1697.94
    2-aminoethanol 232.61
    morpholine-4-carbaldehyde 1268.17
    sulfolane 1334.84
    2,2,4-trimethylpentane 82.24
    2-methyltetrahydrofuran 2459.83
    n-hexyl acetate 662.66
    isooctane 78.41
    2-(2-butoxyethoxy)ethanol 683.25
    sec-butyl acetate 473.55
    tert-butyl acetate 892.24
    decalin 142.52
    glycerin 182.03
    diglyme 1223.58
    acrylic acid 316.19
    isopropyl myristate 240.94
    n-butyric acid 795.25
    acetyl acetate 741.26
    di(2-ethylhexyl) phthalate 212.84
    ethyl propionate 561.1
    nitromethane 857.68
    1,2-diethoxyethane 1035.16
    benzonitrile 715.49
    trioctyl phosphate 156.35
    1-bromopropane 1144.51
    gamma-valerolactone 2005.78
    n-decanol 156.18
    triethyl phosphate 234.02
    4-methyl-2-pentanol 331.94
    propionitrile 985.14
    vinylene carbonate 818.84
    1,1,2-trichlorotrifluoroethane 769.6
    DMS 563.95
    cumene 265.82
    2-octanol 184.43
    2-hexanone 551.37
    octyl acetate 288.09
    limonene 398.07
    1,2-dimethoxyethane 897.44
    ethyl orthosilicate 241.87
    tributyl phosphate 208.19
    diacetone alcohol 657.26
    N,N-dimethylaniline 421.05
    acrylonitrile 876.43
    aniline 959.1
    1,3-propanediol 387.28
    bromobenzene 1423.13
    dibromomethane 1657.34
    1,1,2,2-tetrachloroethane 1936.83
    2-methyl-cyclohexyl acetate 459.51
    tetrabutyl urea 229.97
    diisobutyl methanol 250.57
    2-phenylethanol 574.86
    styrene 517.14
    dioctyl adipate 324.82
    dimethyl sulfate 441.05
    ethyl butyrate 609.48
    methyl lactate 293.29
    butyl lactate 324.77
    diethyl carbonate 378.37
    propanediol butyl ether 405.61
    triethyl orthoformate 410.91
    p-tert-butyltoluene 284.71
    methyl 4-tert-butylbenzoate 460.91
    morpholine 2571.12
    tert-butylamine 742.9
    n-dodecanol 111.13
    dimethoxymethane 1085.28
    ethylene carbonate 737.65
    cyrene 350.46
    2-ethoxyethyl acetate 672.94
    2-ethylhexyl acetate 703.16
    1,2,4-trichlorobenzene 1008.35
    4-methylpyridine 1688.36
    dibutyl ether 418.41
    2,6-dimethyl-4-heptanol 250.57
    DEF 972.64
    dimethyl isosorbide 896.78
    tetrachloroethylene 1202.83
    eugenol 387.57
    triacetin 519.41
    span 80 413.23
    1,4-butanediol 94.81
    1,1-dichloroethane 1661.19
    2-methyl-1-pentanol 334.01
    methyl formate 417.95
    2-methyl-1-butanol 580.08
    n-decane 44.02
    butyronitrile 1011.86
    3,7-dimethyl-1-octanol 291.64
    1-chlorooctane 229.1
    1-chlorotetradecane 77.16
    n-nonane 44.35
    undecane 29.21
    tert-butylcyclohexane 120.13
    cyclooctane 140.8
    cyclopentanol 757.63
    tetrahydropyran 2768.75
    tert-amyl methyl ether 725.14
    2,5,8-trioxanonane 739.46
    1-hexene 459.25
    2-isopropoxyethanol 321.99
    2,2,2-trifluoroethanol 160.5
    methyl butyrate 636.37

    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