2-Buten-1-one, 1-(2,2,6-trimethyl-3-cyclohexen-1-yl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    57350-34-2

    Molecular formula
    C13H20O

    SMILES
    CC=CC(=O)C1C(CC=CC1(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.4%
    Floral 82.66%
    Woody 67.15%
    Rose 62.76%
    Herbal 59.37%
    Sweet 58.86%
    Mint 51.67%
    Green 51.03%
    Berry 46.8%
    Tobacco 44.89%

     

    Flavor
    Sweet 46.15%
    Spicy 30.06%
    Minty 29.53%
    Mint 26.09%
    Spice 25.41%
    Woody 25.19%
    Fruity 22.83%
    Herbal 22.47%
    Honey 22.35%
    Tropical 22.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.81 (neutral)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 116.02 ˚C est.

  • Synonyms

    • 2-Buten-1-one, 1-(2,2,6-trimethyl-3-cyclohexen-1-yl)-
    • 57350-34-2
    • SCHEMBL2984013
    • DTXSID00886225
    • OIRXHSDDHVQTAU-UHFFFAOYSA-N
    • 1-(2,2,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
    • 57350-34-2

  • Applications

    Chemical name: 2-Buten-1-one, 1-(2,2,6-trimethyl-3-cyclohexen-1-yl)-; CAS 57350-34-2 is primarily encountered as a fragrance/odorant intermediate with a terpene-like character, used in perfumery to impart green and woody notes and as a scent modifier in aroma formulations. It may serve as an intermediate in the industrial synthesis of more complex aroma compounds. In cosmetics and personal care, it is evaluated as a fragrance ingredient to contribute distinctive notes within formulation and regulatory limits. In household products such as cleaners and air fresheners, it can act as a fragrance additive to provide a characteristic scent. In coatings, inks, and related industrial applications, it may be employed as an odorant additive to shape product fragrance profiles, while its use remains subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 944.02
    methanol 1110.97
    isopropanol 855.65
    water 1.07
    ethyl acetate 593.96
    n-propanol 785.48
    acetone 754.45
    n-butanol 793.5
    acetonitrile 1007.18
    DMF 814.94
    toluene 808.53
    isobutanol 654.71
    1,4-dioxane 1452.96
    methyl acetate 564.89
    THF 2362.03
    2-butanone 678.29
    n-pentanol 514.06
    sec-butanol 661.06
    n-hexane 328.59
    ethylene glycol 81.51
    NMP 877.04
    cyclohexane 677.05
    DMSO 385.24
    n-butyl acetate 641.28
    n-octanol 368.08
    chloroform 2532.51
    n-propyl acetate 345.79
    acetic acid 435.93
    dichloromethane 1762.98
    cyclohexanone 1391.07
    propylene glycol 145.32
    isopropyl acetate 366.2
    DMAc 448.63
    2-ethoxyethanol 284.69
    isopentanol 600.56
    n-heptane 241.35
    ethyl formate 462.25
    1,2-dichloroethane 951.65
    n-hexanol 931.66
    2-methoxyethanol 541.69
    isobutyl acetate 254.14
    tetrachloromethane 462.05
    n-pentyl acetate 352.78
    transcutol 783.63
    n-heptanol 340.89
    ethylbenzene 328.5
    MIBK 399.36
    2-propoxyethanol 696.42
    tert-butanol 736.72
    MTBE 669.35
    2-butoxyethanol 322.58
    propionic acid 410.8
    o-xylene 359.81
    formic acid 127.47
    diethyl ether 934.49
    m-xylene 513.14
    p-xylene 397.8
    chlorobenzene 812.31
    dimethyl carbonate 183.25
    n-octane 85.26
    formamide 160.7
    cyclopentanone 1296.13
    2-pentanone 637.23
    anisole 391.16
    cyclopentyl methyl ether 1024.59
    gamma-butyrolactone 1253.95
    1-methoxy-2-propanol 492.07
    pyridine 1133.26
    3-pentanone 458.42
    furfural 709.51
    n-dodecane 60.26
    diethylene glycol 335.34
    diisopropyl ether 271.02
    tert-amyl alcohol 534.79
    acetylacetone 434.89
    n-hexadecane 69.33
    acetophenone 316.67
    methyl propionate 433.48
    isopentyl acetate 546.55
    trichloroethylene 1639.24
    n-nonanol 294.06
    cyclohexanol 959.12
    benzyl alcohol 342.96
    2-ethylhexanol 463.18
    isooctanol 268.22
    dipropyl ether 473.07
    1,2-dichlorobenzene 564.5
    ethyl lactate 155.54
    propylene carbonate 706.64
    n-methylformamide 445.49
    2-pentanol 561.39
    n-pentane 334.4
    1-propoxy-2-propanol 498.63
    1-methoxy-2-propyl acetate 432.5
    2-(2-methoxypropoxy) propanol 283.88
    mesitylene 315.5
    ε-caprolactone 926.81
    p-cymene 239.45
    epichlorohydrin 1165.11
    1,1,1-trichloroethane 1070.02
    2-aminoethanol 225.65
    morpholine-4-carbaldehyde 676.96
    sulfolane 895.45
    2,2,4-trimethylpentane 104.14
    2-methyltetrahydrofuran 1548.63
    n-hexyl acetate 550.55
    isooctane 96.77
    2-(2-butoxyethoxy)ethanol 379.2
    sec-butyl acetate 239.28
    tert-butyl acetate 375.5
    decalin 165.96
    glycerin 149.75
    diglyme 557.51
    acrylic acid 315.95
    isopropyl myristate 205.93
    n-butyric acid 676.53
    acetyl acetate 316.85
    di(2-ethylhexyl) phthalate 186.48
    ethyl propionate 300.35
    nitromethane 570.25
    1,2-diethoxyethane 438.7
    benzonitrile 604.38
    trioctyl phosphate 148.71
    1-bromopropane 973.57
    gamma-valerolactone 1163.77
    n-decanol 211.11
    triethyl phosphate 159.86
    4-methyl-2-pentanol 293.38
    propionitrile 873.29
    vinylene carbonate 615.77
    1,1,2-trichlorotrifluoroethane 507.51
    DMS 301.49
    cumene 219.9
    2-octanol 267.52
    2-hexanone 432.2
    octyl acetate 265.22
    limonene 359.78
    1,2-dimethoxyethane 606.64
    ethyl orthosilicate 166.17
    tributyl phosphate 169.07
    diacetone alcohol 365.32
    N,N-dimethylaniline 260.32
    acrylonitrile 748.85
    aniline 600.2
    1,3-propanediol 338.41
    bromobenzene 883.47
    dibromomethane 1470.02
    1,1,2,2-tetrachloroethane 1219.44
    2-methyl-cyclohexyl acetate 319.83
    tetrabutyl urea 215.37
    diisobutyl methanol 221.16
    2-phenylethanol 451.71
    styrene 382.65
    dioctyl adipate 242.61
    dimethyl sulfate 229.21
    ethyl butyrate 364.02
    methyl lactate 177.76
    butyl lactate 244.31
    diethyl carbonate 239.98
    propanediol butyl ether 311.34
    triethyl orthoformate 248.37
    p-tert-butyltoluene 235.94
    methyl 4-tert-butylbenzoate 303.45
    morpholine 1561.43
    tert-butylamine 622.38
    n-dodecanol 156.08
    dimethoxymethane 617.16
    ethylene carbonate 554.25
    cyrene 266.95
    2-ethoxyethyl acetate 337.87
    2-ethylhexyl acetate 454.96
    1,2,4-trichlorobenzene 575.88
    4-methylpyridine 1124.12
    dibutyl ether 371.93
    2,6-dimethyl-4-heptanol 221.16
    DEF 524.88
    dimethyl isosorbide 503.88
    tetrachloroethylene 813.13
    eugenol 269.16
    triacetin 298.16
    span 80 299.48
    1,4-butanediol 142.42
    1,1-dichloroethane 1231.86
    2-methyl-1-pentanol 400.15
    methyl formate 385.08
    2-methyl-1-butanol 598.93
    n-decane 106.88
    butyronitrile 1018.37
    3,7-dimethyl-1-octanol 300.7
    1-chlorooctane 309.92
    1-chlorotetradecane 117.46
    n-nonane 117.57
    undecane 78.24
    tert-butylcyclohexane 135.54
    cyclooctane 210.49
    cyclopentanol 881.28
    tetrahydropyran 2020.95
    tert-amyl methyl ether 438.56
    2,5,8-trioxanonane 384.69
    1-hexene 635.0
    2-isopropoxyethanol 229.34
    2,2,2-trifluoroethanol 142.3
    methyl butyrate 402.36

    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