Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate

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  • Identifiers

    CAS number
    57934-97-1

    Molecular formula
    C13H22O2

    SMILES
    CCC1=CCCC(C1C(=O)OCC)(C)C

  • Odor profile

    Fragrance
    Fruity 85.89%
    Floral 73.2%
    Herbal 58.14%
    Woody 55.49%
    Rose 54.15%
    Spicy 50.75%
    Apple 40.5%
    Berry 39.05%
    Tobacco 36.63%
    Sweet 34.58%

     

    Flavor
    Fruity 62.32%
    Tropical 37.82%
    Fruit 37.32%
    Herbal 36.98%
    Sweet 35.13%
    Green 31.01%
    Berry 29.71%
    Raspberry 28.82%
    Bitter 28.17%
    Woody 27.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.81 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 115.48 ˚C est.

  • Synonyms

    • 57934-97-1
    • Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
    • GIVESCONE
    • Ethyl 2-ethyl-6,6-dimethyl-2-cyclohexene-carboxylate
    • U0QIF3ZHAA
    • EINECS 261-020-5
    • 2-Cyclohexene-1-carboxylic acid, 2-ethyl-6,6-dimethyl-, ethyl ester
    • DTXSID1052240
    • UNII-U0QIF3ZHAA
    • SCHEMBL114467
    • DTXCID6030811
    • CQHUPYQUERYPML-UHFFFAOYSA-N
    • DB-254680
    • NS00012401
    • Q27290528
    • 261-020-5

  • Applications

    Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate (CAS 57934-97-1) may be used as a fragrance ingredient or fragrance intermediate in perfumery and cosmetic applications; it can serve as a chemical intermediate in industrial manufacturing for the synthesis of aroma compounds; it may be incorporated into household products as a scent component; it can act as a building block for specialty polymers or coatings through chemical synthesis; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 680.43
    methanol 663.3
    isopropanol 905.32
    water 0.78
    ethyl acetate 422.94
    n-propanol 795.62
    acetone 620.07
    n-butanol 792.43
    acetonitrile 546.77
    DMF 956.57
    toluene 643.69
    isobutanol 745.58
    1,4-dioxane 1253.19
    methyl acetate 458.15
    THF 1713.66
    2-butanone 640.06
    n-pentanol 537.15
    sec-butanol 860.21
    n-hexane 186.2
    ethylene glycol 117.02
    NMP 872.13
    cyclohexane 442.6
    DMSO 462.06
    n-butyl acetate 447.53
    n-octanol 419.79
    chloroform 2697.94
    n-propyl acetate 289.84
    acetic acid 412.66
    dichloromethane 1624.58
    cyclohexanone 1264.67
    propylene glycol 237.62
    isopropyl acetate 319.2
    DMAc 592.62
    2-ethoxyethanol 344.64
    isopentanol 619.95
    n-heptane 116.33
    ethyl formate 367.28
    1,2-dichloroethane 955.6
    n-hexanol 766.23
    2-methoxyethanol 603.92
    isobutyl acetate 228.86
    tetrachloromethane 404.87
    n-pentyl acetate 351.4
    transcutol 607.51
    n-heptanol 359.09
    ethylbenzene 333.4
    MIBK 369.54
    2-propoxyethanol 634.25
    tert-butanol 828.91
    MTBE 593.92
    2-butoxyethanol 338.99
    propionic acid 425.08
    o-xylene 383.35
    formic acid 103.8
    diethyl ether 599.19
    m-xylene 441.63
    p-xylene 408.17
    chlorobenzene 756.06
    dimethyl carbonate 176.33
    n-octane 63.7
    formamide 131.09
    cyclopentanone 1174.9
    2-pentanone 540.35
    anisole 418.85
    cyclopentyl methyl ether 783.84
    gamma-butyrolactone 1045.25
    1-methoxy-2-propanol 581.21
    pyridine 1069.42
    3-pentanone 396.32
    furfural 726.3
    n-dodecane 57.74
    diethylene glycol 372.34
    diisopropyl ether 212.69
    tert-amyl alcohol 703.25
    acetylacetone 428.43
    n-hexadecane 67.76
    acetophenone 356.25
    methyl propionate 368.63
    isopentyl acetate 436.2
    trichloroethylene 1737.27
    n-nonanol 342.13
    cyclohexanol 1038.76
    benzyl alcohol 403.98
    2-ethylhexanol 396.47
    isooctanol 291.26
    dipropyl ether 294.96
    1,2-dichlorobenzene 591.07
    ethyl lactate 187.31
    propylene carbonate 647.15
    n-methylformamide 390.96
    2-pentanol 603.07
    n-pentane 201.66
    1-propoxy-2-propanol 465.18
    1-methoxy-2-propyl acetate 367.01
    2-(2-methoxypropoxy) propanol 315.96
    mesitylene 303.66
    ε-caprolactone 890.37
    p-cymene 237.19
    epichlorohydrin 1100.77
    1,1,1-trichloroethane 1108.44
    2-aminoethanol 301.59
    morpholine-4-carbaldehyde 710.76
    sulfolane 985.73
    2,2,4-trimethylpentane 89.69
    2-methyltetrahydrofuran 1221.74
    n-hexyl acetate 579.22
    isooctane 74.59
    2-(2-butoxyethoxy)ethanol 398.44
    sec-butyl acetate 225.0
    tert-butyl acetate 342.82
    decalin 149.68
    glycerin 240.02
    diglyme 551.53
    acrylic acid 339.54
    isopropyl myristate 227.96
    n-butyric acid 647.61
    acetyl acetate 275.24
    di(2-ethylhexyl) phthalate 216.34
    ethyl propionate 258.7
    nitromethane 479.68
    1,2-diethoxyethane 319.61
    benzonitrile 592.42
    trioctyl phosphate 175.67
    1-bromopropane 852.86
    gamma-valerolactone 1091.27
    n-decanol 248.0
    triethyl phosphate 164.25
    4-methyl-2-pentanol 315.11
    propionitrile 640.21
    vinylene carbonate 577.58
    1,1,2-trichlorotrifluoroethane 609.89
    DMS 310.8
    cumene 234.57
    2-octanol 315.78
    2-hexanone 370.81
    octyl acetate 290.69
    limonene 328.71
    1,2-dimethoxyethane 606.26
    ethyl orthosilicate 162.27
    tributyl phosphate 179.48
    diacetone alcohol 395.67
    N,N-dimethylaniline 292.23
    acrylonitrile 617.08
    aniline 588.81
    1,3-propanediol 426.79
    bromobenzene 854.58
    dibromomethane 1358.22
    1,1,2,2-tetrachloroethane 1496.07
    2-methyl-cyclohexyl acetate 299.59
    tetrabutyl urea 242.74
    diisobutyl methanol 203.67
    2-phenylethanol 467.52
    styrene 375.68
    dioctyl adipate 270.76
    dimethyl sulfate 261.19
    ethyl butyrate 273.12
    methyl lactate 215.75
    butyl lactate 276.38
    diethyl carbonate 198.82
    propanediol butyl ether 378.04
    triethyl orthoformate 213.74
    p-tert-butyltoluene 236.73
    methyl 4-tert-butylbenzoate 380.46
    morpholine 1367.57
    tert-butylamine 591.45
    n-dodecanol 189.29
    dimethoxymethane 533.84
    ethylene carbonate 507.38
    cyrene 323.42
    2-ethoxyethyl acetate 322.9
    2-ethylhexyl acetate 353.67
    1,2,4-trichlorobenzene 637.1
    4-methylpyridine 1014.99
    dibutyl ether 285.87
    2,6-dimethyl-4-heptanol 203.67
    DEF 452.17
    dimethyl isosorbide 511.39
    tetrachloroethylene 918.12
    eugenol 345.66
    triacetin 331.39
    span 80 366.61
    1,4-butanediol 217.93
    1,1-dichloroethane 1227.17
    2-methyl-1-pentanol 455.08
    methyl formate 314.24
    2-methyl-1-butanol 671.72
    n-decane 91.91
    butyronitrile 761.96
    3,7-dimethyl-1-octanol 319.57
    1-chlorooctane 306.32
    1-chlorotetradecane 127.3
    n-nonane 95.15
    undecane 71.13
    tert-butylcyclohexane 122.61
    cyclooctane 138.3
    cyclopentanol 972.35
    tetrahydropyran 1638.62
    tert-amyl methyl ether 429.24
    2,5,8-trioxanonane 412.75
    1-hexene 446.9
    2-isopropoxyethanol 276.0
    2,2,2-trifluoroethanol 143.71
    methyl butyrate 357.0

    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