2-Buten-1-one, 1-(2,2-dimethyl-6-methylenecyclohexyl)-

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  • Identifiers

    CAS number
    35087-49-1

    Molecular formula
    C13H20O

    SMILES
    C/C=C/C(=O)C1C(=C)CCCC1(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.19%
    Floral 77.54%
    Green 69.47%
    Rose 64.69%
    Woody 63.0%
    Apple 56.04%
    Sweet 50.78%
    Berry 47.84%
    Tobacco 47.54%
    Mint 47.43%

     

    Flavor
    Minty 29.82%
    Woody 28.4%
    Sweet 28.22%
    Spicy 27.78%
    Spice 25.53%
    Phenolic 23.06%
    Herbal 22.78%
    Mint 21.8%
    Fruity 21.71%
    Basil 20.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.86 (neutral)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 112.47 ˚C est.

  • Synonyms

    • 35087-49-1
    • gamma-damascone
    • 2-Buten-1-one, 1-(2,2-dimethyl-6-methylenecyclohexyl)-
    • (E)-1-(2,2-dimethyl-6-methylidenecyclohexyl)but-2-en-1-one
    • SCHEMBL1179185
    • 2-Buten-1-one,1-(2,2-dimethyl-6-methylenecyclohexyl)-

  • Applications

    2-Buten-1-one, 1-(2,2-dimethyl-6-methylenecyclohexyl)- (CAS 35087-49-1) is principally utilized as a fragrance ingredient and odorant in perfumery, where it can function as a fixative to help extend scent lifetimes. It is commonly evaluated for use in cosmetics and personal care formulations to impart amber- or woody-type notes, and may also be incorporated into household cleaning products and air-freshening formulations to contribute distinctive fragrance profiles. In industrial manufacturing, it can serve as an intermediate for the synthesis of fragrance compounds and as a specialty additive in polymers and coatings where odor performance is a consideration. Its use is typically subject to formulation limits and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1837.68
    methanol 2155.46
    isopropanol 1920.46
    water 1.08
    ethyl acetate 921.96
    n-propanol 1520.91
    acetone 1276.99
    n-butanol 1599.04
    acetonitrile 1530.26
    DMF 1540.31
    toluene 1071.66
    isobutanol 1282.8
    1,4-dioxane 2294.25
    methyl acetate 847.87
    THF 4080.1
    2-butanone 1069.68
    n-pentanol 947.12
    sec-butanol 1300.94
    n-hexane 399.77
    ethylene glycol 167.24
    NMP 1211.8
    cyclohexane 867.65
    DMSO 684.02
    n-butyl acetate 988.28
    n-octanol 574.86
    chloroform 3878.43
    n-propyl acetate 502.02
    acetic acid 784.92
    dichloromethane 2489.5
    cyclohexanone 2030.09
    propylene glycol 332.36
    isopropyl acetate 612.44
    DMAc 675.91
    2-ethoxyethanol 523.61
    isopentanol 1197.33
    n-heptane 307.21
    ethyl formate 806.03
    1,2-dichloroethane 1368.99
    n-hexanol 1699.38
    2-methoxyethanol 1137.6
    isobutyl acetate 376.14
    tetrachloromethane 635.48
    n-pentyl acetate 518.66
    transcutol 1429.73
    n-heptanol 540.96
    ethylbenzene 439.87
    MIBK 662.4
    2-propoxyethanol 1290.27
    tert-butanol 1644.17
    MTBE 1187.54
    2-butoxyethanol 542.27
    propionic acid 696.06
    o-xylene 479.41
    formic acid 245.5
    diethyl ether 1401.1
    m-xylene 720.81
    p-xylene 525.32
    chlorobenzene 1165.87
    dimethyl carbonate 290.03
    n-octane 100.71
    formamide 307.55
    cyclopentanone 1989.62
    2-pentanone 1031.01
    anisole 570.88
    cyclopentyl methyl ether 1569.38
    gamma-butyrolactone 1875.67
    1-methoxy-2-propanol 1017.47
    pyridine 1701.42
    3-pentanone 641.79
    furfural 1136.95
    n-dodecane 68.0
    diethylene glycol 611.58
    diisopropyl ether 418.94
    tert-amyl alcohol 1035.56
    acetylacetone 708.22
    n-hexadecane 79.32
    acetophenone 434.17
    methyl propionate 636.68
    isopentyl acetate 861.69
    trichloroethylene 2425.75
    n-nonanol 450.81
    cyclohexanol 1645.27
    benzyl alcohol 550.75
    2-ethylhexanol 713.85
    isooctanol 410.14
    dipropyl ether 726.21
    1,2-dichlorobenzene 786.04
    ethyl lactate 237.07
    propylene carbonate 1097.87
    n-methylformamide 799.15
    2-pentanol 1116.8
    n-pentane 463.06
    1-propoxy-2-propanol 956.48
    1-methoxy-2-propyl acetate 701.4
    2-(2-methoxypropoxy) propanol 437.69
    mesitylene 426.82
    ε-caprolactone 1406.16
    p-cymene 312.29
    epichlorohydrin 1872.33
    1,1,1-trichloroethane 1557.04
    2-aminoethanol 486.56
    morpholine-4-carbaldehyde 1079.7
    sulfolane 1221.91
    2,2,4-trimethylpentane 134.87
    2-methyltetrahydrofuran 2439.6
    n-hexyl acetate 804.89
    isooctane 142.48
    2-(2-butoxyethoxy)ethanol 646.51
    sec-butyl acetate 352.58
    tert-butyl acetate 609.11
    decalin 194.26
    glycerin 320.9
    diglyme 951.95
    acrylic acid 505.32
    isopropyl myristate 288.26
    n-butyric acid 1218.78
    acetyl acetate 477.9
    di(2-ethylhexyl) phthalate 260.1
    ethyl propionate 427.06
    nitromethane 949.67
    1,2-diethoxyethane 704.41
    benzonitrile 924.48
    trioctyl phosphate 201.5
    1-bromopropane 1362.33
    gamma-valerolactone 1848.96
    n-decanol 322.13
    triethyl phosphate 211.0
    4-methyl-2-pentanol 575.49
    propionitrile 1390.5
    vinylene carbonate 949.97
    1,1,2-trichlorotrifluoroethane 831.42
    DMS 411.87
    cumene 277.15
    2-octanol 419.02
    2-hexanone 653.43
    octyl acetate 376.29
    limonene 489.44
    1,2-dimethoxyethane 1028.69
    ethyl orthosilicate 220.85
    tributyl phosphate 240.35
    diacetone alcohol 618.76
    N,N-dimethylaniline 361.76
    acrylonitrile 1197.43
    aniline 983.63
    1,3-propanediol 750.22
    bromobenzene 1256.23
    dibromomethane 2029.18
    1,1,2,2-tetrachloroethane 1895.59
    2-methyl-cyclohexyl acetate 439.84
    tetrabutyl urea 299.09
    diisobutyl methanol 354.61
    2-phenylethanol 724.77
    styrene 509.05
    dioctyl adipate 339.71
    dimethyl sulfate 325.97
    ethyl butyrate 528.96
    methyl lactate 298.93
    butyl lactate 391.66
    diethyl carbonate 344.59
    propanediol butyl ether 569.27
    triethyl orthoformate 364.85
    p-tert-butyltoluene 317.07
    methyl 4-tert-butylbenzoate 423.7
    morpholine 2723.87
    tert-butylamine 1314.48
    n-dodecanol 236.62
    dimethoxymethane 1073.09
    ethylene carbonate 871.58
    cyrene 379.58
    2-ethoxyethyl acetate 510.64
    2-ethylhexyl acetate 652.37
    1,2,4-trichlorobenzene 797.91
    4-methylpyridine 1743.06
    dibutyl ether 579.93
    2,6-dimethyl-4-heptanol 354.61
    DEF 781.79
    dimethyl isosorbide 783.76
    tetrachloroethylene 1203.41
    eugenol 391.53
    triacetin 411.47
    span 80 478.14
    1,4-butanediol 280.3
    1,1-dichloroethane 1834.39
    2-methyl-1-pentanol 708.26
    methyl formate 685.99
    2-methyl-1-butanol 1110.38
    n-decane 127.08
    butyronitrile 1732.8
    3,7-dimethyl-1-octanol 500.49
    1-chlorooctane 411.87
    1-chlorotetradecane 150.16
    n-nonane 138.58
    undecane 91.1
    tert-butylcyclohexane 164.43
    cyclooctane 252.88
    cyclopentanol 1595.4
    tetrahydropyran 3261.04
    tert-amyl methyl ether 696.68
    2,5,8-trioxanonane 618.53
    1-hexene 877.55
    2-isopropoxyethanol 390.16
    2,2,2-trifluoroethanol 233.38
    methyl butyrate 614.73

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.088 %
Category 2
Products applied to the axillae
 0.0023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.088 %
Category 3
Products applied to the face/body using fingertips
 0.046 % Category 8
Products with significant anogenital exposure
 0.0045 %
Category 4
Products related to fine fragrance
 0.043 % Category 9
Products with body and hand exposure, primarily rinse off
 0.084 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.011 % Category 10A
Household care products with mostly hand contact
 0.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.011 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.011 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.17 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.011 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.17 %
Category 6
Products with oral and lip exposure
 0.025 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction