2-Cyclohexen-1-one, 3,4,4-trimethyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    17299-41-1

    Molecular formula
    C9H14O

    SMILES
    CC1=CC(=O)CCC1(C)C

  • Odor profile

    Fruity 70.24%
    Mint 53.7%
    Tobacco 47.88%
    Woody 47.62%
    Caramellic 45.52%
    Ketonic 41.13%
    Camphoreous 40.9%
    Sweet 40.3%
    Berry 35.49%
    Herbal 33.8%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point est.
    72.54 ˚C

  • Synonyms

    • 17299-41-1
    • 2-Cyclohexen-1-one, 3,4,4-trimethyl-
    • 3,4,4-trimethylcyclohex-2-enone
    • 3,4,4-trimethylcyclohex-2-en-1-one
    • DTXSID60169485
    • 3,4,4-trimethyl-cyclohex-2-enone
    • 1,6,6-Trimethylcyclohexene-3-one
    • 3,4,4-TRIMETHYL-2-CYCLOHEXEN-1-ONE
    • SCHEMBL857338
    • DTXCID6091976
    • 3,4,4-trimethyl-cyclohex-2-en-1-one
    • 3,4,4-Trimethyl-2-cyclohexen-1-one #
    • DB-105154

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 524.12
    methanol 527.77
    isopropanol 505.02
    water 5.76
    ethyl acetate 708.99
    n-propanol 479.05
    acetone 531.89
    n-butanol 371.89
    acetonitrile 608.9
    DMF 705.17
    toluene 309.1
    isobutanol 300.3
    1,4-dioxane 1049.87
    methyl acetate 722.47
    THF 763.26
    2-butanone 585.34
    n-pentanol 199.26
    sec-butanol 381.86
    n-hexane 39.25
    ethylene glycol 141.51
    NMP 312.06
    cyclohexane 58.14
    DMSO 343.4
    n-butyl acetate 311.93
    n-octanol 173.58
    chloroform 1014.6
    n-propyl acetate 214.15
    acetic acid 231.91
    dichloromethane 659.07
    cyclohexanone 411.95
    propylene glycol 210.17
    isopropyl acetate 333.0
    DMAc 532.13
    2-ethoxyethanol 313.66
    isopentanol 258.28
    n-heptane 34.78
    ethyl formate 298.63
    1,2-dichloroethane 423.75
    n-hexanol 390.11
    2-methoxyethanol 620.13
    isobutyl acetate 127.15
    tetrachloromethane 185.48
    n-pentyl acetate 174.91
    transcutol 1095.31
    n-heptanol 168.4
    ethylbenzene 170.32
    MIBK 211.67
    2-propoxyethanol 609.86
    tert-butanol 473.51
    MTBE 372.36
    2-butoxyethanol 300.19
    propionic acid 340.67
    o-xylene 183.3
    formic acid 137.11
    diethyl ether 469.77
    m-xylene 210.2
    p-xylene 228.31
    chlorobenzene 317.83
    dimethyl carbonate 215.6
    n-octane 19.27
    formamide 250.29
    cyclopentanone 439.33
    2-pentanone 389.99
    anisole 371.38
    cyclopentyl methyl ether 321.55
    gamma-butyrolactone 526.3
    1-methoxy-2-propanol 578.44
    pyridine 588.07
    3-pentanone 341.61
    furfural 475.12
    n-dodecane 15.78
    diethylene glycol 388.49
    diisopropyl ether 125.12
    tert-amyl alcohol 329.28
    acetylacetone 404.39
    n-hexadecane 18.16
    acetophenone 251.49
    methyl propionate 515.15
    isopentyl acetate 243.04
    trichloroethylene 755.33
    n-nonanol 150.15
    cyclohexanol 244.34
    benzyl alcohol 230.23
    2-ethylhexanol 172.12
    isooctanol 123.64
    dipropyl ether 201.25
    1,2-dichlorobenzene 267.06
    ethyl lactate 123.57
    propylene carbonate 284.2
    n-methylformamide 439.26
    2-pentanol 254.98
    n-pentane 42.12
    1-propoxy-2-propanol 401.3
    1-methoxy-2-propyl acetate 383.01
    2-(2-methoxypropoxy) propanol 255.13
    mesitylene 128.79
    ε-caprolactone 400.81
    p-cymene 95.72
    epichlorohydrin 621.92
    1,1,1-trichloroethane 552.44
    2-aminoethanol 304.43
    morpholine-4-carbaldehyde 613.94
    sulfolane 326.94
    2,2,4-trimethylpentane 21.79
    2-methyltetrahydrofuran 507.62
    n-hexyl acetate 285.09
    isooctane 21.1
    2-(2-butoxyethoxy)ethanol 368.3
    sec-butyl acetate 162.57
    tert-butyl acetate 274.77
    decalin 37.62
    glycerin 223.21
    diglyme 600.04
    acrylic acid 251.69
    isopropyl myristate 103.83
    n-butyric acid 382.65
    acetyl acetate 333.84
    di(2-ethylhexyl) phthalate 89.39
    ethyl propionate 260.29
    nitromethane 593.23
    1,2-diethoxyethane 402.81
    benzonitrile 291.2
    trioctyl phosphate 64.4
    1-bromopropane 309.19
    gamma-valerolactone 678.96
    n-decanol 110.53
    triethyl phosphate 97.6
    4-methyl-2-pentanol 150.09
    propionitrile 504.77
    vinylene carbonate 304.23
    1,1,2-trichlorotrifluoroethane 373.51
    DMS 281.42
    cumene 114.72
    2-octanol 116.06
    2-hexanone 209.05
    octyl acetate 135.23
    limonene 117.72
    1,2-dimethoxyethane 503.15
    ethyl orthosilicate 96.96
    tributyl phosphate 77.36
    diacetone alcohol 302.92
    N,N-dimethylaniline 204.49
    acrylonitrile 542.75
    aniline 357.81
    1,3-propanediol 356.56
    bromobenzene 328.57
    dibromomethane 469.07
    1,1,2,2-tetrachloroethane 608.4
    2-methyl-cyclohexyl acetate 147.67
    tetrabutyl urea 98.6
    diisobutyl methanol 105.59
    2-phenylethanol 320.7
    styrene 195.87
    dioctyl adipate 121.24
    dimethyl sulfate 235.54
    ethyl butyrate 204.2
    methyl lactate 214.09
    butyl lactate 148.54
    diethyl carbonate 154.13
    propanediol butyl ether 247.43
    triethyl orthoformate 144.64
    p-tert-butyltoluene 102.08
    methyl 4-tert-butylbenzoate 210.46
    morpholine 1016.39
    tert-butylamine 281.53
    n-dodecanol 81.96
    dimethoxymethane 500.65
    ethylene carbonate 256.49
    cyrene 171.75
    2-ethoxyethyl acetate 300.97
    2-ethylhexyl acetate 192.49
    1,2,4-trichlorobenzene 296.9
    4-methylpyridine 557.45
    dibutyl ether 160.48
    2,6-dimethyl-4-heptanol 105.59
    DEF 378.9
    dimethyl isosorbide 389.2
    tetrachloroethylene 390.04
    eugenol 213.88
    triacetin 233.11
    span 80 212.86
    1,4-butanediol 117.27
    1,1-dichloroethane 592.5
    2-methyl-1-pentanol 158.95
    methyl formate 296.36
    2-methyl-1-butanol 236.68
    n-decane 26.84
    butyronitrile 395.17
    3,7-dimethyl-1-octanol 165.9
    1-chlorooctane 109.27
    1-chlorotetradecane 45.07
    n-nonane 25.2
    undecane 19.93
    tert-butylcyclohexane 37.77
    cyclooctane 23.73
    cyclopentanol 257.27
    tetrahydropyran 636.58
    tert-amyl methyl ether 236.86
    2,5,8-trioxanonane 390.57
    1-hexene 134.21
    2-isopropoxyethanol 223.69
    2,2,2-trifluoroethanol 145.09
    methyl butyrate 253.79

    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

Botanical

Name CAS Botanical Proportion
Zanthoxylum avicennae (China) Zanthoxylum avicennae (Lam.) DC., fam. Rutaceae 0.1%
Angelica seed 2 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 1.2%