1-Ethyl-2-methylcyclopentane

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  • Identifiers

    CAS number
    3726-46-3

    Molecular formula
    C8H16

    SMILES
    CCC1CCCC1C

    Safety labels

  • Odor profile

    Fragrance
    Citrus 40.23%
    Fresh 35.6%
    Sweet 35.28%
    Woody 34.23%
    Gassy 30.46%
    Dry 27.69%
    Pine 27.5%
    Herbal 26.57%
    Lemon 24.22%
    Spicy 24.02%

     

    Flavor
    Alkane 26.48%
    Sweet 23.43%
    Pine 22.36%
    Old paper 21.07%
    Terpenic 20.44%
    Fir needle 20.27%
    Beet 20.06%
    Soil 20.02%
    Mentholic 19.87%
    Patchouli 19.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.79 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point

    • 13.08 ˚C est.

  • Synonyms

    • 1-Ethyl-2-methylcyclopentane
    • 3726-46-3
    • DTXSID20870803
    • RefChem:1055418
    • DTXCID10212692
    • Cyclopentane, 1-ethyl-2-methyl-
    • Cyclopentane, 1-ethyl-2-methyl-, cis-
    • 1-ethyl-2-methyl-cyclopentane
    • SCHEMBL258148
    • SCHEMBL487149
    • SCHEMBL597926
    • SCHEMBL1775388
    • SCHEMBL3818782
    • SCHEMBL4623622
    • SCHEMBL4625580
    • SCHEMBL5237482
    • SCHEMBL7612174
    • 1-ethyl-2-methyl-cyclo-pentane
    • 1-Ethyl-2-methylcyclopentane #
    • BSKOLJVTLRLTHE-UHFFFAOYSA-N
    • AKOS006272064
    • 3726-46-3

  • Applications

    1-Ethyl-2-methylcyclopentane (CAS 3726-46-3) is primarily used as a nonpolar solvent and as an organic synthesis intermediate, with applications across industry such as: a solvent for coatings, inks, and cleaning formulations; an intermediate in the synthesis of more complex cycloalkane compounds; a diluent/processing solvent in adhesives and sealants; a solvent for plastics and polymer formulations; and a solvent for analytical preparation and research sample preparation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4321.98
    methanol 2566.56
    isopropanol 3469.24
    water 0.19
    ethyl acetate 7035.09
    n-propanol 4259.87
    acetone 4259.56
    n-butanol 5186.05
    acetonitrile 3870.17
    DMF 1391.1
    toluene 3483.49
    isobutanol 3049.19
    1,4-dioxane 7917.25
    methyl acetate 3390.38
    THF 12540.4
    2-butanone 4679.37
    n-pentanol 2830.0
    sec-butanol 3620.9
    n-hexane 4380.3
    ethylene glycol 171.89
    NMP 1432.48
    cyclohexane 5633.72
    DMSO 1940.18
    n-butyl acetate 14323.03
    n-octanol 1653.29
    chloroform 9220.31
    n-propyl acetate 3547.91
    acetic acid 1428.25
    dichloromethane 8785.92
    cyclohexanone 5852.06
    propylene glycol 377.85
    isopropyl acetate 4519.3
    DMAc 1052.7
    2-ethoxyethanol 2018.57
    isopentanol 4474.54
    n-heptane 5924.19
    ethyl formate 2495.66
    1,2-dichloroethane 5939.78
    n-hexanol 7982.59
    2-methoxyethanol 3114.76
    isobutyl acetate 2110.62
    tetrachloromethane 2925.07
    n-pentyl acetate 3090.68
    transcutol 6716.29
    n-heptanol 2011.43
    ethylbenzene 1206.75
    MIBK 3340.63
    2-propoxyethanol 5943.49
    tert-butanol 4563.27
    MTBE 8244.47
    2-butoxyethanol 2167.82
    propionic acid 1673.27
    o-xylene 1317.43
    formic acid 214.74
    diethyl ether 13331.75
    m-xylene 1873.43
    p-xylene 1253.6
    chlorobenzene 3049.92
    dimethyl carbonate 533.68
    n-octane 1133.53
    formamide 341.06
    cyclopentanone 4938.72
    2-pentanone 5277.83
    anisole 1828.98
    cyclopentyl methyl ether 6734.65
    gamma-butyrolactone 3765.95
    1-methoxy-2-propanol 2562.81
    pyridine 5190.31
    3-pentanone 3725.07
    furfural 2379.08
    n-dodecane 496.72
    diethylene glycol 1615.21
    diisopropyl ether 4626.42
    tert-amyl alcohol 3526.22
    acetylacetone 2922.49
    n-hexadecane 577.68
    acetophenone 971.61
    methyl propionate 2828.58
    isopentyl acetate 9216.45
    trichloroethylene 6297.03
    n-nonanol 1514.14
    cyclohexanol 3992.08
    benzyl alcohol 940.85
    2-ethylhexanol 6309.49
    isooctanol 1680.53
    dipropyl ether 13208.08
    1,2-dichlorobenzene 2062.09
    ethyl lactate 552.22
    propylene carbonate 2315.87
    n-methylformamide 1017.65
    2-pentanol 4079.52
    n-pentane 4138.06
    1-propoxy-2-propanol 5977.67
    1-methoxy-2-propyl acetate 4651.15
    2-(2-methoxypropoxy) propanol 1286.43
    mesitylene 1267.89
    ε-caprolactone 4537.52
    p-cymene 1810.43
    epichlorohydrin 5305.58
    1,1,1-trichloroethane 5935.15
    2-aminoethanol 658.28
    morpholine-4-carbaldehyde 2125.65
    sulfolane 2337.86
    2,2,4-trimethylpentane 1043.17
    2-methyltetrahydrofuran 10562.44
    n-hexyl acetate 3143.78
    isooctane 1278.7
    2-(2-butoxyethoxy)ethanol 2178.73
    sec-butyl acetate 2485.64
    tert-butyl acetate 4414.04
    decalin 1201.15
    glycerin 363.97
    diglyme 3978.04
    acrylic acid 755.36
    isopropyl myristate 1404.76
    n-butyric acid 4478.36
    acetyl acetate 2407.43
    di(2-ethylhexyl) phthalate 614.94
    ethyl propionate 2708.92
    nitromethane 1933.53
    1,2-diethoxyethane 9421.33
    benzonitrile 1961.73
    trioctyl phosphate 608.56
    1-bromopropane 8717.01
    gamma-valerolactone 4470.89
    n-decanol 1157.37
    triethyl phosphate 1171.43
    4-methyl-2-pentanol 2354.09
    propionitrile 4658.17
    vinylene carbonate 1703.17
    1,1,2-trichlorotrifluoroethane 1629.02
    DMS 1117.87
    cumene 739.73
    2-octanol 1306.41
    2-hexanone 3755.61
    octyl acetate 1492.34
    limonene 3760.06
    1,2-dimethoxyethane 5050.32
    ethyl orthosilicate 1500.08
    tributyl phosphate 898.16
    diacetone alcohol 2146.06
    N,N-dimethylaniline 839.92
    acrylonitrile 2964.47
    aniline 2391.2
    1,3-propanediol 1529.83
    bromobenzene 3550.41
    dibromomethane 7963.68
    1,1,2,2-tetrachloroethane 4693.07
    2-methyl-cyclohexyl acetate 2597.38
    tetrabutyl urea 918.55
    diisobutyl methanol 3087.06
    2-phenylethanol 2240.0
    styrene 1606.23
    dioctyl adipate 1133.3
    dimethyl sulfate 453.18
    ethyl butyrate 7130.55
    methyl lactate 473.61
    butyl lactate 1223.78
    diethyl carbonate 2827.17
    propanediol butyl ether 986.84
    triethyl orthoformate 3945.2
    p-tert-butyltoluene 1672.87
    methyl 4-tert-butylbenzoate 874.84
    morpholine 8276.99
    tert-butylamine 4748.49
    n-dodecanol 926.22
    dimethoxymethane 2727.64
    ethylene carbonate 2017.73
    cyrene 575.25
    2-ethoxyethyl acetate 2835.11
    2-ethylhexyl acetate 7948.6
    1,2,4-trichlorobenzene 1863.38
    4-methylpyridine 4803.24
    dibutyl ether 6146.44
    2,6-dimethyl-4-heptanol 3087.06
    DEF 3607.87
    dimethyl isosorbide 2235.33
    tetrachloroethylene 3423.05
    eugenol 716.16
    triacetin 1137.1
    span 80 1327.3
    1,4-butanediol 407.41
    1,1-dichloroethane 6551.96
    2-methyl-1-pentanol 2609.38
    methyl formate 696.52
    2-methyl-1-butanol 3732.6
    n-decane 955.94
    butyronitrile 6788.94
    3,7-dimethyl-1-octanol 2403.74
    1-chlorooctane 1921.67
    1-chlorotetradecane 755.39
    n-nonane 1106.14
    undecane 652.08
    tert-butylcyclohexane 1112.06
    cyclooctane 1964.84
    cyclopentanol 3095.46
    tetrahydropyran 13882.99
    tert-amyl methyl ether 4589.99
    2,5,8-trioxanonane 2104.08
    1-hexene 7013.73
    2-isopropoxyethanol 1634.65
    2,2,2-trifluoroethanol 286.27
    methyl butyrate 3285.15

    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