2-Cyclohexen-1-one, 2,5,6-trimethyl-

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  • Identifiers

    CAS number
    20030-30-2

    Molecular formula
    C9H14O

    SMILES
    CC1CC=C(C(=O)C1C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 62.02%
    Herbal 50.84%
    Camphoreous 44.38%
    Caramellic 38.8%
    Phenolic 38.6%
    Woody 37.93%
    Tobacco 37.9%
    Sweet 35.69%
    Spicy 35.37%
    Burnt 34.98%

     

    Flavor
    Minty 56.55%
    Herbal 37.61%
    Mint 33.45%
    Sweet 31.48%
    Spice 29.83%
    Spicy 29.62%
    Phenolic 28.97%
    Tobacco 27.14%
    Woody 27.0%
    Camphor 25.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.76 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    195°C

    Flash point

    • 63.56 ˚C est.

  • Synonyms

    • 2,5,6-Trimethylcyclohex-2-en-1-one
    • 20030-30-2
    • 2-Cyclohexen-1-one, 2,5,6-trimethyl-
    • 2,5,6-Trimethyl-2-cyclohexen-1-one
    • EINECS 243-473-0
    • DTXSID80885110
    • EC 243-473-0
    • RefChem:470847
    • DTXCID801024512
    • 243-473-0
    • SCHEMBL3679111
    • 2,3,6-trimethylcyclohex-5-en-1-one
    • 2,3,6-trimethyl-cyclohex-5-en-1-one
    • 2,5,6-trimethyl-cyclohex-2-en-1-one
    • 2,5,6-trimethylcyclohex-2-en- 1-one
    • NS00009431
    • 20030-30-2

  • Applications

    2-Cyclohexen-1-one, 2,5,6-trimethyl- (CAS 20030-30-2) is primarily used as a fragrance ingredient and odorant in perfumery, and as a building block for the synthesis of related fragrance compounds. It may also serve in cosmetics and personal care as a scent component, and in household products to impart aroma. In coatings and inks, it can be employed as an odorant additive, while in industrial manufacturing it is evaluated as an intermediate in fragrance chemistry and polymer-related formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1169.76
    methanol 1365.58
    isopropanol 1011.6
    water 10.52
    ethyl acetate 803.85
    n-propanol 952.6
    acetone 1059.65
    n-butanol 819.63
    acetonitrile 1396.5
    DMF 1001.47
    toluene 593.47
    isobutanol 738.71
    1,4-dioxane 1964.93
    methyl acetate 941.5
    THF 1587.22
    2-butanone 967.05
    n-pentanol 549.87
    sec-butanol 734.84
    n-hexane 191.27
    ethylene glycol 185.75
    NMP 829.15
    cyclohexane 202.56
    DMSO 780.26
    n-butyl acetate 678.84
    n-octanol 435.72
    chloroform 3211.89
    n-propyl acetate 568.53
    acetic acid 738.52
    dichloromethane 2456.11
    cyclohexanone 1207.44
    propylene glycol 230.58
    isopropyl acetate 516.21
    DMAc 565.08
    2-ethoxyethanol 725.54
    isopentanol 714.38
    n-heptane 89.45
    ethyl formate 592.16
    1,2-dichloroethane 1420.9
    n-hexanol 704.78
    2-methoxyethanol 939.08
    isobutyl acetate 381.65
    tetrachloromethane 732.57
    n-pentyl acetate 532.41
    transcutol 2117.69
    n-heptanol 443.58
    ethylbenzene 372.85
    MIBK 507.01
    2-propoxyethanol 919.78
    tert-butanol 980.89
    MTBE 916.27
    2-butoxyethanol 661.13
    propionic acid 714.96
    o-xylene 380.82
    formic acid 299.24
    diethyl ether 962.67
    m-xylene 419.53
    p-xylene 472.71
    chlorobenzene 834.42
    dimethyl carbonate 241.1
    n-octane 55.87
    formamide 441.49
    cyclopentanone 1309.7
    2-pentanone 730.04
    anisole 661.05
    cyclopentyl methyl ether 764.38
    gamma-butyrolactone 1334.12
    1-methoxy-2-propanol 705.45
    pyridine 1232.84
    3-pentanone 550.95
    furfural 1145.52
    n-dodecane 44.27
    diethylene glycol 542.19
    diisopropyl ether 336.31
    tert-amyl alcohol 762.07
    acetylacetone 676.49
    n-hexadecane 51.29
    acetophenone 525.3
    methyl propionate 562.27
    isopentyl acetate 601.7
    trichloroethylene 2469.18
    n-nonanol 365.57
    cyclohexanol 609.5
    benzyl alcohol 495.03
    2-ethylhexanol 405.42
    isooctanol 368.34
    dipropyl ether 427.82
    1,2-dichlorobenzene 706.63
    ethyl lactate 239.35
    propylene carbonate 688.56
    n-methylformamide 738.73
    2-pentanol 588.08
    n-pentane 160.9
    1-propoxy-2-propanol 647.11
    1-methoxy-2-propyl acetate 520.15
    2-(2-methoxypropoxy) propanol 443.51
    mesitylene 286.1
    ε-caprolactone 970.21
    p-cymene 219.71
    epichlorohydrin 1661.85
    1,1,1-trichloroethane 1657.66
    2-aminoethanol 428.45
    morpholine-4-carbaldehyde 1097.31
    sulfolane 1152.83
    2,2,4-trimethylpentane 88.4
    2-methyltetrahydrofuran 1134.3
    n-hexyl acetate 751.24
    isooctane 94.34
    2-(2-butoxyethoxy)ethanol 716.74
    sec-butyl acetate 383.62
    tert-butyl acetate 559.23
    decalin 122.08
    glycerin 278.73
    diglyme 1243.22
    acrylic acid 579.63
    isopropyl myristate 256.46
    n-butyric acid 821.37
    acetyl acetate 451.0
    di(2-ethylhexyl) phthalate 214.09
    ethyl propionate 455.26
    nitromethane 1261.33
    1,2-diethoxyethane 879.04
    benzonitrile 790.31
    trioctyl phosphate 165.08
    1-bromopropane 923.64
    gamma-valerolactone 1507.21
    n-decanol 252.72
    triethyl phosphate 190.61
    4-methyl-2-pentanol 359.44
    propionitrile 981.09
    vinylene carbonate 709.62
    1,1,2-trichlorotrifluoroethane 802.37
    DMS 465.42
    cumene 284.8
    2-octanol 332.66
    2-hexanone 608.71
    octyl acetate 331.55
    limonene 275.92
    1,2-dimethoxyethane 1154.17
    ethyl orthosilicate 202.09
    tributyl phosphate 198.9
    diacetone alcohol 546.89
    N,N-dimethylaniline 400.5
    acrylonitrile 1141.13
    aniline 673.4
    1,3-propanediol 600.68
    bromobenzene 881.66
    dibromomethane 1696.54
    1,1,2,2-tetrachloroethane 1753.46
    2-methyl-cyclohexyl acetate 333.73
    tetrabutyl urea 227.9
    diisobutyl methanol 249.96
    2-phenylethanol 518.72
    styrene 439.52
    dioctyl adipate 287.11
    dimethyl sulfate 334.54
    ethyl butyrate 434.34
    methyl lactate 251.72
    butyl lactate 329.86
    diethyl carbonate 284.48
    propanediol butyl ether 526.72
    triethyl orthoformate 292.9
    p-tert-butyltoluene 216.29
    methyl 4-tert-butylbenzoate 435.45
    morpholine 1701.34
    tert-butylamine 737.67
    n-dodecanol 183.33
    dimethoxymethane 685.2
    ethylene carbonate 572.66
    cyrene 335.7
    2-ethoxyethyl acetate 630.35
    2-ethylhexyl acetate 452.25
    1,2,4-trichlorobenzene 779.52
    4-methylpyridine 1240.5
    dibutyl ether 451.56
    2,6-dimethyl-4-heptanol 249.96
    DEF 655.65
    dimethyl isosorbide 658.18
    tetrachloroethylene 1285.69
    eugenol 444.61
    triacetin 464.56
    span 80 404.84
    1,4-butanediol 272.46
    1,1-dichloroethane 1803.46
    2-methyl-1-pentanol 541.85
    methyl formate 532.71
    2-methyl-1-butanol 655.8
    n-decane 79.22
    butyronitrile 962.52
    3,7-dimethyl-1-octanol 377.38
    1-chlorooctane 311.34
    1-chlorotetradecane 116.26
    n-nonane 78.05
    undecane 56.91
    tert-butylcyclohexane 136.21
    cyclooctane 78.27
    cyclopentanol 674.7
    tetrahydropyran 1332.14
    tert-amyl methyl ether 539.74
    2,5,8-trioxanonane 670.22
    1-hexene 494.3
    2-isopropoxyethanol 545.94
    2,2,2-trifluoroethanol 306.56
    methyl butyrate 597.7

    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