(Z)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

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  • Identifiers

    Molecular formula
    C14H22O

    SMILES
    CC1=CCCC(C1/C=C(/C)\C(=O)C)(C)C

  • Odor profile

    Woody 89.8%
    Floral 84.98%
    Violet 74.7%
    Sweet 67.95%
    Powdery 66.76%
    Orris 65.78%
    Berry 53.53%
    Amber 45.71%
    Dry 44.93%
    Musk 43.59%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point est.
    109.17 ˚C

  • Synonyms

    • (Z)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • .alpha.-Cetone
    • Methyl-.alpha.-isoionone
    • Iso-.alpha.-methyl ionone
    • NSC-66432
    • .alpha.-Isomethylionone
    • SCHEMBL891912
    • NSC66432
    • D91367
    • 4-(2,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 364.68
    methanol 222.25
    isopropanol 434.37
    water 0.4
    ethyl acetate 684.68
    n-propanol 380.79
    acetone 647.0
    n-butanol 394.27
    acetonitrile 517.14
    DMF 790.04
    toluene 695.53
    isobutanol 336.25
    1,4-dioxane 1099.6
    methyl acetate 654.6
    THF 1593.99
    2-butanone 815.34
    n-pentanol 236.65
    sec-butanol 398.61
    n-hexane 97.97
    ethylene glycol 36.97
    NMP 711.8
    cyclohexane 187.41
    DMSO 321.53
    n-butyl acetate 629.33
    n-octanol 240.06
    chloroform 1745.38
    n-propyl acetate 362.11
    acetic acid 185.17
    dichloromethane 1395.75
    cyclohexanone 971.18
    propylene glycol 103.59
    isopropyl acetate 456.43
    DMAc 695.91
    2-ethoxyethanol 234.79
    isopentanol 401.93
    n-heptane 83.86
    ethyl formate 316.41
    1,2-dichloroethane 768.6
    n-hexanol 519.7
    2-methoxyethanol 417.5
    isobutyl acetate 275.68
    tetrachloromethane 301.63
    n-pentyl acetate 329.34
    transcutol 1158.24
    n-heptanol 239.19
    ethylbenzene 365.99
    MIBK 399.91
    2-propoxyethanol 557.32
    tert-butanol 606.66
    MTBE 704.64
    2-butoxyethanol 322.9
    propionic acid 238.39
    o-xylene 407.81
    formic acid 41.34
    diethyl ether 581.6
    m-xylene 499.69
    p-xylene 466.75
    chlorobenzene 649.65
    dimethyl carbonate 206.33
    n-octane 37.42
    formamide 93.34
    cyclopentanone 1134.99
    2-pentanone 612.07
    anisole 547.47
    cyclopentyl methyl ether 729.96
    gamma-butyrolactone 965.09
    1-methoxy-2-propanol 465.38
    pyridine 833.45
    3-pentanone 496.08
    furfural 695.92
    n-dodecane 29.76
    diethylene glycol 250.74
    diisopropyl ether 229.88
    tert-amyl alcohol 465.83
    acetylacetone 556.9
    n-hexadecane 35.34
    acetophenone 427.18
    methyl propionate 489.63
    isopentyl acetate 564.45
    trichloroethylene 1489.28
    n-nonanol 212.0
    cyclohexanol 431.24
    benzyl alcohol 329.26
    2-ethylhexanol 325.3
    isooctanol 197.97
    dipropyl ether 363.8
    1,2-dichlorobenzene 546.69
    ethyl lactate 166.37
    propylene carbonate 584.74
    n-methylformamide 245.51
    2-pentanol 315.94
    n-pentane 95.52
    1-propoxy-2-propanol 492.34
    1-methoxy-2-propyl acetate 563.11
    2-(2-methoxypropoxy) propanol 361.63
    mesitylene 304.84
    ε-caprolactone 789.19
    p-cymene 241.88
    epichlorohydrin 1123.32
    1,1,1-trichloroethane 991.69
    2-aminoethanol 115.11
    morpholine-4-carbaldehyde 776.17
    sulfolane 757.89
    2,2,4-trimethylpentane 61.77
    2-methyltetrahydrofuran 1202.63
    n-hexyl acetate 506.05
    isooctane 54.47
    2-(2-butoxyethoxy)ethanol 446.63
    sec-butyl acetate 304.47
    tert-butyl acetate 503.98
    decalin 103.21
    glycerin 108.22
    diglyme 704.87
    acrylic acid 174.53
    isopropyl myristate 227.06
    n-butyric acid 426.51
    acetyl acetate 365.5
    di(2-ethylhexyl) phthalate 204.82
    ethyl propionate 342.55
    nitromethane 420.33
    1,2-diethoxyethane 547.44
    benzonitrile 509.25
    trioctyl phosphate 149.19
    1-bromopropane 630.27
    gamma-valerolactone 1130.28
    n-decanol 160.07
    triethyl phosphate 183.38
    4-methyl-2-pentanol 228.21
    propionitrile 516.95
    vinylene carbonate 519.44
    1,1,2-trichlorotrifluoroethane 462.03
    DMS 385.87
    cumene 242.85
    2-octanol 176.78
    2-hexanone 399.28
    octyl acetate 276.91
    limonene 320.9
    1,2-dimethoxyethane 548.83
    ethyl orthosilicate 181.2
    tributyl phosphate 177.32
    diacetone alcohol 450.98
    N,N-dimethylaniline 365.58
    acrylonitrile 478.87
    aniline 524.68
    1,3-propanediol 201.13
    bromobenzene 761.04
    dibromomethane 999.64
    1,1,2,2-tetrachloroethane 1124.08
    2-methyl-cyclohexyl acetate 369.91
    tetrabutyl urea 210.5
    diisobutyl methanol 193.27
    2-phenylethanol 429.09
    styrene 403.64
    dioctyl adipate 285.91
    dimethyl sulfate 268.25
    ethyl butyrate 414.48
    methyl lactate 189.38
    butyl lactate 251.56
    diethyl carbonate 275.59
    propanediol butyl ether 306.3
    triethyl orthoformate 270.8
    p-tert-butyltoluene 258.13
    methyl 4-tert-butylbenzoate 391.13
    morpholine 1122.27
    tert-butylamine 472.61
    n-dodecanol 125.74
    dimethoxymethane 517.87
    ethylene carbonate 419.09
    cyrene 311.9
    2-ethoxyethyl acetate 434.63
    2-ethylhexyl acetate 452.68
    1,2,4-trichlorobenzene 628.29
    4-methylpyridine 1011.14
    dibutyl ether 313.1
    2,6-dimethyl-4-heptanol 193.27
    DEF 537.16
    dimethyl isosorbide 671.63
    tetrachloroethylene 628.05
    eugenol 332.46
    triacetin 424.1
    span 80 347.48
    1,4-butanediol 73.34
    1,1-dichloroethane 1040.99
    2-methyl-1-pentanol 269.28
    methyl formate 209.88
    2-methyl-1-butanol 354.94
    n-decane 50.37
    butyronitrile 576.68
    3,7-dimethyl-1-octanol 263.69
    1-chlorooctane 202.32
    1-chlorotetradecane 86.44
    n-nonane 49.02
    undecane 37.6
    tert-butylcyclohexane 100.31
    cyclooctane 72.54
    cyclopentanol 428.4
    tetrahydropyran 1229.88
    tert-amyl methyl ether 464.44
    2,5,8-trioxanonane 493.07
    1-hexene 302.38
    2-isopropoxyethanol 230.32
    2,2,2-trifluoroethanol 78.84
    methyl butyrate 416.1

    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