Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis-

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  • Identifiers

    CAS number
    181258-87-7

    Molecular formula
    C13H26O

    SMILES
    CCC(C)(C)C1CCC(CC1)OCC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 69.18%
    Woody 67.1%
    Fresh 52.03%
    Floral 38.66%
    Citrus 35.52%
    Dry 35.04%
    Amber 34.25%
    Herbal 33.64%
    Spicy 30.43%
    Pine 28.5%

     

    Flavor
    Green 52.54%
    Sweet 36.01%
    Herbal 34.71%
    Earthy 32.47%
    Woody 28.99%
    Fruity 27.23%
    Fresh 25.22%
    Spicy 24.95%
    Floral 23.89%
    Musty 22.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.96 (weak base)

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 83.96 ˚C est.

  • Synonyms

    • 181258-87-7
    • Cis-1-ethoxy-4-(tert-pentyl)cyclohexane
    • Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis-
    • 181258-89-9
    • Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans-
    • SCHEMBL754970
    • DTXSID0051811
    • DTXSID5051812
    • SCHEMBL17629865
    • DTXSID30861464
    • KDPSHFVSTJYAJQ-UHFFFAOYSA-N
    • 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
    • cis-1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
    • trans-1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
    • Ozofleur

  • Applications

    Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis- (CAS 181258-87-7) is used primarily as a non-polar solvent and processing medium in industrial manufacturing; as a chemical intermediate for the synthesis of specialty compounds, including fragrance-related materials; as a component in coatings and inks as a non-polar diluent; as a hydrocarbon solvent in cleaning formulations; and as a processing aid or diluent in polymers, plastics and adhesive systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4416.29
    methanol 2403.95
    isopropanol 4553.88
    water 0.7
    ethyl acetate 10641.7
    n-propanol 4837.72
    acetone 7709.89
    n-butanol 5437.62
    acetonitrile 5112.97
    DMF 4309.05
    toluene 5190.62
    isobutanol 4542.55
    1,4-dioxane 10908.24
    methyl acetate 6215.15
    THF 12848.28
    2-butanone 7295.11
    n-pentanol 2881.83
    sec-butanol 4402.61
    n-hexane 3271.11
    ethylene glycol 342.98
    NMP 3730.96
    cyclohexane 6210.43
    DMSO 3523.27
    n-butyl acetate 8638.45
    n-octanol 1919.55
    chloroform 12720.12
    n-propyl acetate 4622.69
    acetic acid 2380.82
    dichloromethane 11356.18
    cyclohexanone 10071.8
    propylene glycol 687.45
    isopropyl acetate 8066.97
    DMAc 3511.56
    2-ethoxyethanol 3002.53
    isopentanol 5475.09
    n-heptane 2170.52
    ethyl formate 3248.4
    1,2-dichloroethane 9049.27
    n-hexanol 5448.6
    2-methoxyethanol 4469.98
    isobutyl acetate 3282.99
    tetrachloromethane 4216.76
    n-pentyl acetate 3816.19
    transcutol 13272.79
    n-heptanol 1989.34
    ethylbenzene 2093.85
    MIBK 4641.14
    2-propoxyethanol 5879.55
    tert-butanol 6693.5
    MTBE 13509.64
    2-butoxyethanol 2688.84
    propionic acid 2888.79
    o-xylene 2822.88
    formic acid 414.44
    diethyl ether 14258.22
    m-xylene 3374.58
    p-xylene 2544.01
    chlorobenzene 5279.6
    dimethyl carbonate 1683.97
    n-octane 729.55
    formamide 788.97
    cyclopentanone 8212.63
    2-pentanone 7380.87
    anisole 3188.25
    cyclopentyl methyl ether 9246.68
    gamma-butyrolactone 7252.82
    1-methoxy-2-propanol 4013.92
    pyridine 6201.88
    3-pentanone 6250.27
    furfural 4485.58
    n-dodecane 362.46
    diethylene glycol 2085.67
    diisopropyl ether 5519.03
    tert-amyl alcohol 5910.34
    acetylacetone 6264.49
    n-hexadecane 439.39
    acetophenone 2200.24
    methyl propionate 5945.2
    isopentyl acetate 7292.42
    trichloroethylene 12328.97
    n-nonanol 1684.15
    cyclohexanol 6197.33
    benzyl alcohol 1643.39
    2-ethylhexanol 3802.19
    isooctanol 1786.96
    dipropyl ether 7206.25
    1,2-dichlorobenzene 4281.73
    ethyl lactate 1178.7
    propylene carbonate 4327.37
    n-methylformamide 2186.07
    2-pentanol 4626.13
    n-pentane 3133.36
    1-propoxy-2-propanol 5020.91
    1-methoxy-2-propyl acetate 6609.73
    2-(2-methoxypropoxy) propanol 2192.36
    mesitylene 2445.38
    ε-caprolactone 8242.52
    p-cymene 1648.36
    epichlorohydrin 8827.48
    1,1,1-trichloroethane 11553.77
    2-aminoethanol 1056.78
    morpholine-4-carbaldehyde 5159.46
    sulfolane 6496.14
    2,2,4-trimethylpentane 1390.04
    2-methyltetrahydrofuran 12021.14
    n-hexyl acetate 4863.25
    isooctane 1155.06
    2-(2-butoxyethoxy)ethanol 3430.8
    sec-butyl acetate 4138.8
    tert-butyl acetate 8248.89
    decalin 1629.37
    glycerin 766.24
    diglyme 6272.83
    acrylic acid 1617.11
    isopropyl myristate 1818.12
    n-butyric acid 6036.32
    acetyl acetate 5081.85
    di(2-ethylhexyl) phthalate 974.75
    ethyl propionate 4578.86
    nitromethane 4293.48
    1,2-diethoxyethane 8659.01
    benzonitrile 2920.68
    trioctyl phosphate 912.21
    1-bromopropane 8886.05
    gamma-valerolactone 8712.27
    n-decanol 1216.64
    triethyl phosphate 1468.95
    4-methyl-2-pentanol 2886.65
    propionitrile 5313.76
    vinylene carbonate 3582.44
    1,1,2-trichlorotrifluoroethane 4068.85
    DMS 2983.87
    cumene 1443.43
    2-octanol 1483.58
    2-hexanone 4109.07
    octyl acetate 1990.17
    limonene 3263.59
    1,2-dimethoxyethane 6384.41
    ethyl orthosilicate 1771.3
    tributyl phosphate 1391.93
    diacetone alcohol 4552.22
    N,N-dimethylaniline 1851.02
    acrylonitrile 4103.28
    aniline 3984.66
    1,3-propanediol 2202.11
    bromobenzene 6459.43
    dibromomethane 9265.5
    1,1,2,2-tetrachloroethane 10696.94
    2-methyl-cyclohexyl acetate 2974.94
    tetrabutyl urea 1426.09
    diisobutyl methanol 2142.41
    2-phenylethanol 2296.02
    styrene 2622.6
    dioctyl adipate 1900.36
    dimethyl sulfate 2023.81
    ethyl butyrate 5272.77
    methyl lactate 1376.42
    butyl lactate 2107.14
    diethyl carbonate 2784.61
    propanediol butyl ether 1874.74
    triethyl orthoformate 3438.54
    p-tert-butyltoluene 1698.26
    methyl 4-tert-butylbenzoate 2016.56
    morpholine 11082.78
    tert-butylamine 6496.22
    n-dodecanol 932.44
    dimethoxymethane 4902.98
    ethylene carbonate 4137.7
    cyrene 1245.77
    2-ethoxyethyl acetate 4434.39
    2-ethylhexyl acetate 5872.69
    1,2,4-trichlorobenzene 4490.62
    4-methylpyridine 7035.84
    dibutyl ether 5467.88
    2,6-dimethyl-4-heptanol 2142.41
    DEF 6139.9
    dimethyl isosorbide 3532.26
    tetrachloroethylene 7105.35
    eugenol 1402.32
    triacetin 3037.82
    span 80 1935.98
    1,4-butanediol 678.37
    1,1-dichloroethane 10639.38
    2-methyl-1-pentanol 2984.92
    methyl formate 1624.21
    2-methyl-1-butanol 4978.03
    n-decane 762.63
    butyronitrile 6225.78
    3,7-dimethyl-1-octanol 2534.88
    1-chlorooctane 2334.37
    1-chlorotetradecane 815.36
    n-nonane 878.94
    undecane 497.56
    tert-butylcyclohexane 1502.32
    cyclooctane 2143.7
    cyclopentanol 4603.23
    tetrahydropyran 15582.32
    tert-amyl methyl ether 7799.75
    2,5,8-trioxanonane 3371.6
    1-hexene 5566.88
    2-isopropoxyethanol 2576.69
    2,2,2-trifluoroethanol 895.66
    methyl butyrate 5074.22

    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