2,4,4,6-Tetramethylcyclohexa-2,5-dien-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    53950-85-9

    Molecular formula
    C10H14O

    SMILES
    CC1=CC(C=C(C1=O)C)(C)C

  • Odor profile

    Fragrance
    Sweet 71.62%
    Woody 64.43%
    Green 62.0%
    Mint 61.78%
    Herbal 51.61%
    Tobacco 49.39%
    Camphoreous 47.47%
    Spicy 40.72%
    Hay 38.82%
    Tea 36.28%

     

    Flavor
    Woody 56.42%
    Tobacco 44.8%
    Sweet 43.46%
    Camphor 36.31%
    Herbal 33.64%
    Phenolic 33.31%
    Dry 32.3%
    Spicy 32.1%
    Minty 31.86%
    Powdery 27.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 73.99 ˚C est.

  • Synonyms

    • 2,4,4,6-Tetramethylcyclohexa-2,5-dien-1-one
    • 53950-85-9
    • SCHEMBL11322039
    • DTXSID70634295

  • Applications

    2,4,4,6-Tetramethylcyclohexa-2,5-dien-1-one (CAS 53950-85-9) is typically evaluated in fragrance chemistry as an odorant ingredient and as a synthetic intermediate for the development of aroma compounds. In cosmetics and personal care, it may function as an odorant component; in household products, it can contribute as a fragrance additive. It is also considered a specialty chemical intermediate for industrial manufacturing, with potential applications in coatings and inks, and as a building block for certain polymer formulations. Use is dependent on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 300.47
    methanol 375.07
    isopropanol 233.26
    water 1.53
    ethyl acetate 470.25
    n-propanol 259.68
    acetone 413.04
    n-butanol 283.0
    acetonitrile 432.51
    DMF 580.33
    toluene 431.55
    isobutanol 219.81
    1,4-dioxane 749.17
    methyl acetate 402.51
    THF 1118.81
    2-butanone 411.42
    n-pentanol 205.09
    sec-butanol 225.17
    n-hexane 224.7
    ethylene glycol 60.31
    NMP 613.57
    cyclohexane 231.14
    DMSO 237.07
    n-butyl acetate 440.4
    n-octanol 208.06
    chloroform 1096.16
    n-propyl acetate 269.97
    acetic acid 250.54
    dichloromethane 936.6
    cyclohexanone 628.17
    propylene glycol 68.08
    isopropyl acetate 302.94
    DMAc 404.27
    2-ethoxyethanol 249.17
    isopentanol 257.37
    n-heptane 136.49
    ethyl formate 290.67
    1,2-dichloroethane 585.8
    n-hexanol 448.07
    2-methoxyethanol 391.78
    isobutyl acetate 196.49
    tetrachloromethane 308.83
    n-pentyl acetate 275.62
    transcutol 649.5
    n-heptanol 198.09
    ethylbenzene 250.95
    MIBK 297.78
    2-propoxyethanol 530.79
    tert-butanol 301.46
    MTBE 402.4
    2-butoxyethanol 273.3
    propionic acid 217.2
    o-xylene 277.61
    formic acid 105.03
    diethyl ether 577.84
    m-xylene 352.3
    p-xylene 283.84
    chlorobenzene 434.77
    dimethyl carbonate 194.51
    n-octane 58.63
    formamide 123.17
    cyclopentanone 757.49
    2-pentanone 436.15
    anisole 361.08
    cyclopentyl methyl ether 637.46
    gamma-butyrolactone 817.15
    1-methoxy-2-propanol 324.76
    pyridine 523.75
    3-pentanone 376.99
    furfural 569.56
    n-dodecane 37.33
    diethylene glycol 283.14
    diisopropyl ether 235.69
    tert-amyl alcohol 269.2
    acetylacetone 360.8
    n-hexadecane 43.15
    acetophenone 272.6
    methyl propionate 362.46
    isopentyl acetate 370.26
    trichloroethylene 994.08
    n-nonanol 177.56
    cyclohexanol 322.33
    benzyl alcohol 212.46
    2-ethylhexanol 259.63
    isooctanol 159.96
    dipropyl ether 368.49
    1,2-dichlorobenzene 392.27
    ethyl lactate 127.79
    propylene carbonate 428.74
    n-methylformamide 303.74
    2-pentanol 232.64
    n-pentane 160.8
    1-propoxy-2-propanol 365.54
    1-methoxy-2-propyl acetate 365.94
    2-(2-methoxypropoxy) propanol 211.43
    mesitylene 246.28
    ε-caprolactone 528.91
    p-cymene 177.13
    epichlorohydrin 839.54
    1,1,1-trichloroethane 691.24
    2-aminoethanol 120.54
    morpholine-4-carbaldehyde 548.34
    sulfolane 622.65
    2,2,4-trimethylpentane 72.58
    2-methyltetrahydrofuran 759.52
    n-hexyl acetate 399.52
    isooctane 72.8
    2-(2-butoxyethoxy)ethanol 281.61
    sec-butyl acetate 211.93
    tert-butyl acetate 347.91
    decalin 114.62
    glycerin 95.08
    diglyme 497.65
    acrylic acid 185.8
    isopropyl myristate 148.98
    n-butyric acid 345.19
    acetyl acetate 267.31
    di(2-ethylhexyl) phthalate 122.59
    ethyl propionate 285.54
    nitromethane 404.17
    1,2-diethoxyethane 378.14
    benzonitrile 342.22
    trioctyl phosphate 102.82
    1-bromopropane 476.22
    gamma-valerolactone 726.54
    n-decanol 128.46
    triethyl phosphate 141.94
    4-methyl-2-pentanol 165.08
    propionitrile 379.46
    vinylene carbonate 402.98
    1,1,2-trichlorotrifluoroethane 365.54
    DMS 295.89
    cumene 177.88
    2-octanol 157.41
    2-hexanone 292.67
    octyl acetate 180.45
    limonene 232.23
    1,2-dimethoxyethane 477.72
    ethyl orthosilicate 152.99
    tributyl phosphate 123.28
    diacetone alcohol 288.34
    N,N-dimethylaniline 257.88
    acrylonitrile 396.14
    aniline 292.44
    1,3-propanediol 187.43
    bromobenzene 480.84
    dibromomethane 708.36
    1,1,2,2-tetrachloroethane 737.89
    2-methyl-cyclohexyl acetate 244.29
    tetrabutyl urea 148.9
    diisobutyl methanol 148.36
    2-phenylethanol 294.93
    styrene 265.16
    dioctyl adipate 164.61
    dimethyl sulfate 240.3
    ethyl butyrate 288.94
    methyl lactate 146.83
    butyl lactate 175.62
    diethyl carbonate 197.04
    propanediol butyl ether 191.06
    triethyl orthoformate 207.39
    p-tert-butyltoluene 189.7
    methyl 4-tert-butylbenzoate 260.56
    morpholine 712.47
    tert-butylamine 255.64
    n-dodecanol 97.42
    dimethoxymethane 513.74
    ethylene carbonate 346.28
    cyrene 211.63
    2-ethoxyethyl acetate 318.74
    2-ethylhexyl acetate 321.06
    1,2,4-trichlorobenzene 401.24
    4-methylpyridine 584.21
    dibutyl ether 256.34
    2,6-dimethyl-4-heptanol 148.36
    DEF 438.39
    dimethyl isosorbide 402.8
    tetrachloroethylene 546.32
    eugenol 236.28
    triacetin 222.79
    span 80 192.8
    1,4-butanediol 85.76
    1,1-dichloroethane 616.04
    2-methyl-1-pentanol 207.54
    methyl formate 282.74
    2-methyl-1-butanol 251.03
    n-decane 65.76
    butyronitrile 420.3
    3,7-dimethyl-1-octanol 185.0
    1-chlorooctane 198.58
    1-chlorotetradecane 80.62
    n-nonane 70.28
    undecane 47.57
    tert-butylcyclohexane 109.18
    cyclooctane 112.37
    cyclopentanol 311.15
    tetrahydropyran 768.88
    tert-amyl methyl ether 362.91
    2,5,8-trioxanonane 312.26
    1-hexene 344.8
    2-isopropoxyethanol 205.12
    2,2,2-trifluoroethanol 117.56
    methyl butyrate 323.15

    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