Undecylcyclohexane

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  • Identifiers

    CAS number
    54105-66-7

    Molecular formula
    C17H34

    SMILES
    CCCCCCCCCCCC1CCCCC1

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 76.2%
    Fatty 34.42%
    Oily 28.39%
    Sweet 24.77%
    Gassy 19.06%
    Fishy 18.08%
    Odorless 16.74%
    Meaty 15.52%
    Clean 15.38%
    Animal 14.94%

     

    Flavor
    Alkane 52.67%
    Waxy 46.96%
    Mild 22.56%
    Slightly waxy 21.26%
    Delicate 20.26%
    Bland 20.21%
    Incense 19.74%
    Citrus peel 19.51%
    Diterpene 19.45%
    Grapefruit peel 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    8.24 (weak base)

    Molecular weight
    238.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 139.14 ˚C est.

  • Synonyms

    • UNDECYLCYCLOHEXANE
    • n-Undecylcyclohexane
    • 54105-66-7
    • Cyclohexane, undecyl-
    • EINECS 258-976-0
    • DTXSID50202451
    • RefChem:193119
    • DTXCID50124942
    • 258-976-0
    • XQQVOBPJWHQXEN-UHFFFAOYSA-N
    • MFCD00045505
    • 1-Cyclohexylundecane
    • undecyl-Cyclohexane
    • SCHEMBL1524921
    • SCHEMBL1524922
    • SCHEMBL2342915
    • SCHEMBL5368275
    • SCHEMBL9300758
    • CHEBI:183291
    • BS-23815
    • SY053765
    • DB-052481
    • CS-0205013
    • NS00032958
    • U0037
    • D92756
    • 54105-66-7

  • Applications

    Undecylcyclohexane (CAS 54105-66-7) is a nonpolar hydrocarbon that may function as a fragrance ingredient and fixative in perfumery; may be used in cosmetics and personal care formulations as a fragrance component or nonpolar solvent; may serve as a solvent or diluent in cleaning and household products; may act as a solvent carrier in coatings and inks; and may be evaluated as a processing aid or additive in polymers to facilitate processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 358.85
    methanol 103.48
    isopropanol 598.54
    water 0.0
    ethyl acetate 3470.88
    n-propanol 584.09
    acetone 2189.09
    n-butanol 962.14
    acetonitrile 444.19
    DMF 867.24
    toluene 2393.0
    isobutanol 634.61
    1,4-dioxane 3891.4
    methyl acetate 1385.33
    THF 8734.35
    2-butanone 2480.31
    n-pentanol 606.35
    sec-butanol 831.6
    n-hexane 2639.94
    ethylene glycol 9.2
    NMP 1505.89
    cyclohexane 7342.6
    DMSO 1190.2
    n-butyl acetate 7446.12
    n-octanol 710.73
    chloroform 4289.29
    n-propyl acetate 2888.85
    acetic acid 225.31
    dichloromethane 4462.27
    cyclohexanone 5638.51
    propylene glycol 40.78
    isopropyl acetate 3429.72
    DMAc 1180.95
    2-ethoxyethanol 534.77
    isopentanol 1325.43
    n-heptane 5469.43
    ethyl formate 753.48
    1,2-dichloroethane 4162.3
    n-hexanol 1587.02
    2-methoxyethanol 589.66
    isobutyl acetate 2252.54
    tetrachloromethane 1597.02
    n-pentyl acetate 2925.97
    transcutol 4140.93
    n-heptanol 775.02
    ethylbenzene 1206.63
    MIBK 2930.73
    2-propoxyethanol 1449.73
    tert-butanol 1512.65
    MTBE 4571.49
    2-butoxyethanol 996.84
    propionic acid 357.42
    o-xylene 1420.89
    formic acid 9.68
    diethyl ether 5505.63
    m-xylene 1470.71
    p-xylene 1518.06
    chlorobenzene 1956.29
    dimethyl carbonate 386.26
    n-octane 1137.91
    formamide 25.9
    cyclopentanone 4472.3
    2-pentanone 3525.63
    anisole 1619.86
    cyclopentyl methyl ether 5912.11
    gamma-butyrolactone 2932.64
    1-methoxy-2-propanol 854.44
    pyridine 2971.42
    3-pentanone 2786.75
    furfural 1497.76
    n-dodecane 390.57
    diethylene glycol 262.09
    diisopropyl ether 3116.77
    tert-amyl alcohol 1403.18
    acetylacetone 2769.98
    n-hexadecane 491.87
    acetophenone 1297.91
    methyl propionate 1605.55
    isopentyl acetate 6368.33
    trichloroethylene 4582.19
    n-nonanol 788.97
    cyclohexanol 1983.96
    benzyl alcohol 505.62
    2-ethylhexanol 2464.55
    isooctanol 947.82
    dipropyl ether 11165.75
    1,2-dichlorobenzene 1835.93
    ethyl lactate 450.1
    propylene carbonate 1934.51
    n-methylformamide 190.84
    2-pentanol 1174.34
    n-pentane 1893.4
    1-propoxy-2-propanol 2497.12
    1-methoxy-2-propyl acetate 3541.4
    2-(2-methoxypropoxy) propanol 919.17
    mesitylene 1281.88
    ε-caprolactone 3714.38
    p-cymene 1676.8
    epichlorohydrin 3769.47
    1,1,1-trichloroethane 5141.23
    2-aminoethanol 49.87
    morpholine-4-carbaldehyde 1497.45
    sulfolane 3167.75
    2,2,4-trimethylpentane 760.89
    2-methyltetrahydrofuran 7283.3
    n-hexyl acetate 2643.63
    isooctane 752.0
    2-(2-butoxyethoxy)ethanol 1290.26
    sec-butyl acetate 2656.89
    tert-butyl acetate 4605.75
    decalin 1537.77
    glycerin 54.85
    diglyme 3442.87
    acrylic acid 162.64
    isopropyl myristate 1542.52
    n-butyric acid 1405.23
    acetyl acetate 1693.07
    di(2-ethylhexyl) phthalate 534.42
    ethyl propionate 2682.8
    nitromethane 552.7
    1,2-diethoxyethane 6441.4
    benzonitrile 1001.37
    trioctyl phosphate 546.34
    1-bromopropane 5070.44
    gamma-valerolactone 3271.9
    n-decanol 585.29
    triethyl phosphate 1615.93
    4-methyl-2-pentanol 967.24
    propionitrile 891.57
    vinylene carbonate 1048.69
    1,1,2-trichlorotrifluoroethane 1139.83
    DMS 1077.97
    cumene 874.84
    2-octanol 734.96
    2-hexanone 2690.09
    octyl acetate 1361.03
    limonene 3757.41
    1,2-dimethoxyethane 2880.86
    ethyl orthosilicate 1878.13
    tributyl phosphate 805.7
    diacetone alcohol 1927.67
    N,N-dimethylaniline 1118.06
    acrylonitrile 548.82
    aniline 1174.03
    1,3-propanediol 195.62
    bromobenzene 2858.19
    dibromomethane 4035.78
    1,1,2,2-tetrachloroethane 4643.45
    2-methyl-cyclohexyl acetate 2746.19
    tetrabutyl urea 1059.73
    diisobutyl methanol 2283.5
    2-phenylethanol 864.89
    styrene 1413.95
    dioctyl adipate 1508.57
    dimethyl sulfate 580.47
    ethyl butyrate 6569.07
    methyl lactate 280.92
    butyl lactate 1002.86
    diethyl carbonate 2936.35
    propanediol butyl ether 444.43
    triethyl orthoformate 4498.74
    p-tert-butyltoluene 1697.87
    methyl 4-tert-butylbenzoate 1312.24
    morpholine 3851.45
    tert-butylamine 1612.82
    n-dodecanol 483.53
    dimethoxymethane 1470.41
    ethylene carbonate 1376.56
    cyrene 556.07
    2-ethoxyethyl acetate 2341.95
    2-ethylhexyl acetate 5664.55
    1,2,4-trichlorobenzene 1902.82
    4-methylpyridine 2807.98
    dibutyl ether 5835.1
    2,6-dimethyl-4-heptanol 2283.5
    DEF 2882.28
    dimethyl isosorbide 2187.59
    tetrachloroethylene 2658.03
    eugenol 694.77
    triacetin 1582.61
    span 80 919.97
    1,4-butanediol 60.79
    1,1-dichloroethane 3874.34
    2-methyl-1-pentanol 829.92
    methyl formate 173.22
    2-methyl-1-butanol 1009.86
    n-decane 900.14
    butyronitrile 1598.48
    3,7-dimethyl-1-octanol 1348.44
    1-chlorooctane 1994.43
    1-chlorotetradecane 702.07
    n-nonane 1061.24
    undecane 553.91
    tert-butylcyclohexane 1201.36
    cyclooctane 2447.34
    cyclopentanol 1407.28
    tetrahydropyran 9297.4
    tert-amyl methyl ether 3319.7
    2,5,8-trioxanonane 1822.54
    1-hexene 3387.75
    2-isopropoxyethanol 661.82
    2,2,2-trifluoroethanol 63.51
    methyl butyrate 3176.54

    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