3-Ethoxy-1,1,5-trimethylcyclohexane

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  • Identifiers

    CAS number
    67583-77-1

    Molecular formula
    C11H22O

    SMILES
    CCOC1CC(CC(C1)(C)C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 79.93%
    Herbal 79.59%
    Fruity 70.55%
    Woody 63.39%
    Fresh 62.01%
    Mint 59.21%
    Citrus 53.71%
    Spicy 50.52%
    Camphoreous 46.37%
    Floral 45.69%

     

    Flavor
    Herbal 45.73%
    Green 42.37%
    Sweet 41.47%
    Earthy 40.41%
    Woody 34.63%
    Spicy 32.62%
    Minty 29.87%
    Camphor 29.78%
    Musty 26.12%
    Mint 24.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.9 (neutral)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    194°C

    Flash point

    • 62.66 ˚C est.

  • Synonyms

    • 3-Ethoxy-1,1,5-trimethylcyclohexane
    • 67583-77-1
    • 3,3,5-Trimethylcyclohexyl ethyl ether
    • Cyclohexane, 3-ethoxy-1,1,5-trimethyl-
    • EINECS 266-722-5
    • Ethyl 3,3,5-trimethylcyclohexyl ether
    • DTXSID1052872
    • (Z)-herbal cyclohexane
    • SCHEMBL873371
    • DTXCID8030471
    • AKOS006286487
    • NS00012365
    • 266-722-5

  • Applications

    3-Ethoxy-1,1,5-trimethylcyclohexane (CAS 67583-77-1) is used as a specialty intermediate and non-polar solvent in niche chemical formulations. In perfumery and cosmetics, it may function as a fragrance ingredient/odorant and as part of solvent systems for fragrance formulations. In household products and cleaners, it may serve as a solvent component or fragrance carrier. In coatings, inks, and adhesives, it can act as a processing solvent or additive to improve solubility of bulky organics. In industrial manufacturing, it is evaluated as a building block for synthesis of cyclohexane derivatives, and in polymer and plastics chemistry as a precursor or processing aid for specialty additives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1301.99
    methanol 1218.33
    isopropanol 1349.53
    water 1.37
    ethyl acetate 953.92
    n-propanol 1244.63
    acetone 888.76
    n-butanol 1440.11
    acetonitrile 910.28
    DMF 569.99
    toluene 916.42
    isobutanol 1158.6
    1,4-dioxane 2041.51
    methyl acetate 761.33
    THF 2763.92
    2-butanone 873.08
    n-pentanol 891.31
    sec-butanol 1277.44
    n-hexane 1140.61
    ethylene glycol 169.68
    NMP 740.77
    cyclohexane 1874.63
    DMSO 481.06
    n-butyl acetate 1410.63
    n-octanol 944.04
    chloroform 3242.93
    n-propyl acetate 614.43
    acetic acid 824.32
    dichloromethane 1988.51
    cyclohexanone 1765.8
    propylene glycol 358.77
    isopropyl acetate 689.59
    DMAc 514.88
    2-ethoxyethanol 540.6
    isopentanol 1202.83
    n-heptane 1547.06
    ethyl formate 612.59
    1,2-dichloroethane 1018.9
    n-hexanol 2724.64
    2-methoxyethanol 937.86
    isobutyl acetate 548.1
    tetrachloromethane 790.89
    n-pentyl acetate 700.15
    transcutol 1750.94
    n-heptanol 926.78
    ethylbenzene 510.37
    MIBK 632.64
    2-propoxyethanol 1585.41
    tert-butanol 1715.97
    MTBE 1576.65
    2-butoxyethanol 756.13
    propionic acid 738.61
    o-xylene 590.93
    formic acid 177.57
    diethyl ether 1386.04
    m-xylene 674.67
    p-xylene 674.06
    chlorobenzene 991.69
    dimethyl carbonate 197.65
    n-octane 374.9
    formamide 143.84
    cyclopentanone 1304.79
    2-pentanone 849.23
    anisole 553.92
    cyclopentyl methyl ether 1581.68
    gamma-butyrolactone 1234.51
    1-methoxy-2-propanol 817.68
    pyridine 1219.91
    3-pentanone 664.83
    furfural 934.14
    n-dodecane 230.96
    diethylene glycol 683.98
    diisopropyl ether 665.27
    tert-amyl alcohol 1333.92
    acetylacetone 633.8
    n-hexadecane 257.0
    acetophenone 434.19
    methyl propionate 600.84
    isopentyl acetate 1275.19
    trichloroethylene 1711.73
    n-nonanol 754.01
    cyclohexanol 1790.11
    benzyl alcohol 470.5
    2-ethylhexanol 1705.73
    isooctanol 678.47
    dipropyl ether 1578.5
    1,2-dichlorobenzene 761.25
    ethyl lactate 277.92
    propylene carbonate 942.38
    n-methylformamide 366.07
    2-pentanol 1083.56
    n-pentane 923.02
    1-propoxy-2-propanol 1376.44
    1-methoxy-2-propyl acetate 923.92
    2-(2-methoxypropoxy) propanol 643.52
    mesitylene 517.33
    ε-caprolactone 1461.94
    p-cymene 619.49
    epichlorohydrin 1232.72
    1,1,1-trichloroethane 1446.74
    2-aminoethanol 427.02
    morpholine-4-carbaldehyde 896.37
    sulfolane 1054.73
    2,2,4-trimethylpentane 406.04
    2-methyltetrahydrofuran 2270.65
    n-hexyl acetate 1128.39
    isooctane 360.46
    2-(2-butoxyethoxy)ethanol 824.01
    sec-butyl acetate 492.02
    tert-butyl acetate 759.45
    decalin 557.29
    glycerin 349.06
    diglyme 1247.73
    acrylic acid 456.58
    isopropyl myristate 493.96
    n-butyric acid 1276.8
    acetyl acetate 576.66
    di(2-ethylhexyl) phthalate 399.09
    ethyl propionate 508.62
    nitromethane 680.17
    1,2-diethoxyethane 888.2
    benzonitrile 790.15
    trioctyl phosphate 337.41
    1-bromopropane 1304.36
    gamma-valerolactone 1405.25
    n-decanol 555.1
    triethyl phosphate 355.03
    4-methyl-2-pentanol 663.94
    propionitrile 941.35
    vinylene carbonate 742.65
    1,1,2-trichlorotrifluoroethane 852.73
    DMS 488.32
    cumene 400.23
    2-octanol 660.74
    2-hexanone 723.21
    octyl acetate 599.63
    limonene 1062.62
    1,2-dimethoxyethane 1109.02
    ethyl orthosilicate 389.66
    tributyl phosphate 400.99
    diacetone alcohol 668.28
    N,N-dimethylaniline 390.1
    acrylonitrile 692.98
    aniline 740.38
    1,3-propanediol 674.77
    bromobenzene 1107.03
    dibromomethane 1761.29
    1,1,2,2-tetrachloroethane 1552.19
    2-methyl-cyclohexyl acetate 804.41
    tetrabutyl urea 442.85
    diisobutyl methanol 791.26
    2-phenylethanol 792.44
    styrene 544.57
    dioctyl adipate 572.53
    dimethyl sulfate 234.2
    ethyl butyrate 815.07
    methyl lactate 275.32
    butyl lactate 505.06
    diethyl carbonate 505.72
    propanediol butyl ether 667.65
    triethyl orthoformate 660.56
    p-tert-butyltoluene 608.89
    methyl 4-tert-butylbenzoate 569.65
    morpholine 2011.62
    tert-butylamine 1583.81
    n-dodecanol 445.17
    dimethoxymethane 597.43
    ethylene carbonate 750.5
    cyrene 428.27
    2-ethoxyethyl acetate 660.52
    2-ethylhexyl acetate 1107.58
    1,2,4-trichlorobenzene 824.89
    4-methylpyridine 1219.56
    dibutyl ether 1033.87
    2,6-dimethyl-4-heptanol 791.26
    DEF 691.79
    dimethyl isosorbide 942.62
    tetrachloroethylene 1063.3
    eugenol 447.3
    triacetin 688.29
    span 80 770.51
    1,4-butanediol 256.92
    1,1-dichloroethane 1327.64
    2-methyl-1-pentanol 774.78
    methyl formate 306.52
    2-methyl-1-butanol 1145.91
    n-decane 402.28
    butyronitrile 1305.81
    3,7-dimethyl-1-octanol 867.66
    1-chlorooctane 763.02
    1-chlorotetradecane 335.91
    n-nonane 475.9
    undecane 289.13
    tert-butylcyclohexane 538.84
    cyclooctane 735.05
    cyclopentanol 1382.9
    tetrahydropyran 2851.68
    tert-amyl methyl ether 1071.31
    2,5,8-trioxanonane 840.46
    1-hexene 1391.35
    2-isopropoxyethanol 494.87
    2,2,2-trifluoroethanol 221.95
    methyl butyrate 681.92

    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