1-(2,2,6-Trimethylcyclohexyl)but-2-en-1-one

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C13H22O

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

  • Odor profile

    Fruity 90.93%
    Floral 82.88%
    Rose 66.27%
    Woody 66.24%
    Sweet 56.06%
    Berry 53.08%
    Tobacco 50.52%
    Apple 49.28%
    Herbal 47.92%
    Mint 46.9%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point est.
    109.21 ˚C

  • Synonyms

    • DTXSID90885787
    • DDDIVAXBYDCLRR-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1785.28
    methanol 2017.49
    isopropanol 1872.32
    water 1.1
    ethyl acetate 1012.05
    n-propanol 1538.76
    acetone 1368.46
    n-butanol 1514.81
    acetonitrile 1924.97
    DMF 1243.83
    toluene 1211.69
    isobutanol 1301.1
    1,4-dioxane 2477.62
    methyl acetate 932.97
    THF 4018.66
    2-butanone 1187.35
    n-pentanol 873.35
    sec-butanol 1283.06
    n-hexane 513.64
    ethylene glycol 125.25
    NMP 1177.9
    cyclohexane 1126.91
    DMSO 580.51
    n-butyl acetate 1171.48
    n-octanol 579.42
    chloroform 4209.57
    n-propyl acetate 554.68
    acetic acid 778.69
    dichloromethane 2750.62
    cyclohexanone 2341.99
    propylene glycol 251.01
    isopropyl acetate 648.77
    DMAc 598.18
    2-ethoxyethanol 486.35
    isopentanol 1162.14
    n-heptane 390.14
    ethyl formate 800.79
    1,2-dichloroethane 1530.1
    n-hexanol 1657.05
    2-methoxyethanol 989.96
    isobutyl acetate 411.78
    tetrachloromethane 778.92
    n-pentyl acetate 580.69
    transcutol 1371.93
    n-heptanol 566.09
    ethylbenzene 493.05
    MIBK 667.49
    2-propoxyethanol 1228.52
    tert-butanol 1542.29
    MTBE 1337.48
    2-butoxyethanol 542.23
    propionic acid 700.58
    o-xylene 551.36
    formic acid 202.64
    diethyl ether 1640.92
    m-xylene 771.31
    p-xylene 623.6
    chlorobenzene 1348.08
    dimethyl carbonate 254.48
    n-octane 126.13
    formamide 257.1
    cyclopentanone 2094.22
    2-pentanone 1092.19
    anisole 592.99
    cyclopentyl methyl ether 1644.37
    gamma-butyrolactone 1922.79
    1-methoxy-2-propanol 878.86
    pyridine 1890.75
    3-pentanone 719.0
    furfural 1144.13
    n-dodecane 86.05
    diethylene glycol 532.92
    diisopropyl ether 475.72
    tert-amyl alcohol 1008.39
    acetylacetone 718.2
    n-hexadecane 101.48
    acetophenone 465.88
    methyl propionate 671.09
    isopentyl acetate 991.37
    trichloroethylene 2644.27
    n-nonanol 452.2
    cyclohexanol 1696.88
    benzyl alcohol 527.79
    2-ethylhexanol 805.77
    isooctanol 445.12
    dipropyl ether 814.59
    1,2-dichlorobenzene 896.09
    ethyl lactate 221.59
    propylene carbonate 1095.56
    n-methylformamide 741.08
    2-pentanol 1052.75
    n-pentane 535.73
    1-propoxy-2-propanol 898.23
    1-methoxy-2-propyl acetate 712.2
    2-(2-methoxypropoxy) propanol 419.24
    mesitylene 475.14
    ε-caprolactone 1582.77
    p-cymene 371.1
    epichlorohydrin 1955.59
    1,1,1-trichloroethane 1843.19
    2-aminoethanol 395.48
    morpholine-4-carbaldehyde 1046.33
    sulfolane 1266.31
    2,2,4-trimethylpentane 162.55
    2-methyltetrahydrofuran 2623.18
    n-hexyl acetate 883.83
    isooctane 160.61
    2-(2-butoxyethoxy)ethanol 582.31
    sec-butyl acetate 389.63
    tert-butyl acetate 646.92
    decalin 254.08
    glycerin 241.83
    diglyme 926.12
    acrylic acid 513.5
    isopropyl myristate 315.72
    n-butyric acid 1264.32
    acetyl acetate 509.73
    di(2-ethylhexyl) phthalate 266.98
    ethyl propionate 454.93
    nitromethane 989.94
    1,2-diethoxyethane 763.48
    benzonitrile 1035.66
    trioctyl phosphate 218.59
    1-bromopropane 1590.1
    gamma-valerolactone 1961.83
    n-decanol 318.97
    triethyl phosphate 224.65
    4-methyl-2-pentanol 525.56
    propionitrile 1664.48
    vinylene carbonate 958.09
    1,1,2-trichlorotrifluoroethane 808.77
    DMS 431.09
    cumene 319.89
    2-octanol 433.78
    2-hexanone 707.71
    octyl acetate 407.18
    limonene 591.24
    1,2-dimethoxyethane 1070.96
    ethyl orthosilicate 244.03
    tributyl phosphate 253.11
    diacetone alcohol 591.93
    N,N-dimethylaniline 354.74
    acrylonitrile 1386.5
    aniline 979.35
    1,3-propanediol 636.66
    bromobenzene 1449.78
    dibromomethane 2292.28
    1,1,2,2-tetrachloroethane 2060.6
    2-methyl-cyclohexyl acetate 496.01
    tetrabutyl urea 310.92
    diisobutyl methanol 380.55
    2-phenylethanol 739.71
    styrene 581.19
    dioctyl adipate 360.0
    dimethyl sulfate 297.14
    ethyl butyrate 592.68
    methyl lactate 258.84
    butyl lactate 385.32
    diethyl carbonate 367.44
    propanediol butyl ether 497.1
    triethyl orthoformate 407.7
    p-tert-butyltoluene 360.78
    methyl 4-tert-butylbenzoate 438.01
    morpholine 2760.53
    tert-butylamine 1280.55
    n-dodecanol 234.1
    dimethoxymethane 949.35
    ethylene carbonate 893.79
    cyrene 359.13
    2-ethoxyethyl acetate 542.62
    2-ethylhexyl acetate 786.42
    1,2,4-trichlorobenzene 905.15
    4-methylpyridine 1928.56
    dibutyl ether 643.73
    2,6-dimethyl-4-heptanol 380.55
    DEF 811.92
    dimethyl isosorbide 749.47
    tetrachloroethylene 1374.26
    eugenol 380.05
    triacetin 436.55
    span 80 459.59
    1,4-butanediol 224.16
    1,1-dichloroethane 2108.28
    2-methyl-1-pentanol 681.69
    methyl formate 608.42
    2-methyl-1-butanol 1077.89
    n-decane 158.97
    butyronitrile 2003.06
    3,7-dimethyl-1-octanol 492.92
    1-chlorooctane 475.56
    1-chlorotetradecane 170.82
    n-nonane 174.06
    undecane 114.71
    tert-butylcyclohexane 206.97
    cyclooctane 320.18
    cyclopentanol 1572.5
    tetrahydropyran 3608.95
    tert-amyl methyl ether 764.14
    2,5,8-trioxanonane 581.05
    1-hexene 1050.96
    2-isopropoxyethanol 372.35
    2,2,2-trifluoroethanol 225.86
    methyl butyrate 646.88

    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