Cyclopentane, 1-ethyl-3-methyl-, cis-

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  • Identifiers

    CAS number
    2613-66-3

    Molecular formula
    C8H16

    SMILES
    CCC1CCC(C1)C

    Safety labels

  • Odor profile

    Fragrance
    Citrus 46.06%
    Fresh 36.31%
    Sweet 32.49%
    Woody 31.38%
    Herbal 31.06%
    Gassy 30.57%
    Lemon 28.54%
    Pine 24.96%
    Terpenic 24.8%
    Spicy 24.69%

     

    Flavor
    Sweet 27.38%
    Pine 21.88%
    Woody 21.48%
    Old paper 21.1%
    Terpenic 21.06%
    Mentholic 20.76%
    Spice 20.63%
    Beet 20.51%
    Soil 20.35%
    Pleasant 20.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.52 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 10.76 ˚C est.

  • Synonyms

    • 2613-66-3
    • Cyclopentane, 1-ethyl-3-methyl-, cis-
    • Cyclopentane, 1-ethyl-3-methyl-, (1R,3S)-rel-
    • RefChem:580954
    • Cyclopentane, 1ethyl3methyl, (1R,3S)rel
    • 1-Ethyl-3-methylcyclopentane
    • Cyclopentane, 1-ethyl-3-methyl-
    • 3726-47-4
    • 1-METHYL-3-ETHYLCYCLOPENTANE
    • NSC-73952
    • 2613-65-2
    • Cyclopentane, ethylmethyl-
    • ETHYLMETHYLCYCLOPENTANE
    • NSC73952
    • starbld0005734
    • R56EKD2LSS
    • SCHEMBL597210
    • SCHEMBL1560234
    • SCHEMBL2290987
    • SCHEMBL5388249
    • SCHEMBL9985671
    • 1-Ethyl-3-methylcyclopentane #
    • SCHEMBL17310001
    • SCHEMBL17310118
    • SCHEMBL23494282
    • DTXSID40870986
    • PQXAPVOKLYINEI-UHFFFAOYSA-N
    • NSC 73952
    • AKOS006272661
    • 61593-45-1
    • 3726-47-4

  • Applications

    Cyclopentane, 1-ethyl-3-methyl-, cis- (CAS 2613-66-3) is a non-polar cyclic hydrocarbon that is commonly used in industry as a solvent and reaction medium. It may function as an intermediate or building block in the synthesis of fine chemicals, including specialty chemicals and agrochemicals. In the polymer and plastics sector, it can be employed as a processing aid or precursor in certain formulation routes. It is also encountered in research and development settings as a laboratory-scale solvent and reagent for small-scale synthesis and formulation work. Depending on local regulations and formulation limits, its use is governed accordingly.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1916.52
    methanol 942.77
    isopropanol 2040.07
    water 0.16
    ethyl acetate 2877.33
    n-propanol 2013.31
    acetone 2232.48
    n-butanol 2572.76
    acetonitrile 1572.7
    DMF 869.02
    toluene 1549.15
    isobutanol 1737.37
    1,4-dioxane 3268.0
    methyl acetate 1765.99
    THF 5621.38
    2-butanone 2368.49
    n-pentanol 1479.68
    sec-butanol 2123.02
    n-hexane 2408.81
    ethylene glycol 120.41
    NMP 902.66
    cyclohexane 2159.27
    DMSO 1095.62
    n-butyl acetate 6000.84
    n-octanol 1237.35
    chloroform 4358.75
    n-propyl acetate 1694.01
    acetic acid 661.69
    dichloromethane 3152.44
    cyclohexanone 2777.28
    propylene glycol 319.01
    isopropyl acetate 2074.48
    DMAc 777.55
    2-ethoxyethanol 1008.69
    isopentanol 2494.96
    n-heptane 3044.37
    ethyl formate 1059.22
    1,2-dichloroethane 2110.36
    n-hexanol 4541.48
    2-methoxyethanol 1501.91
    isobutyl acetate 1228.81
    tetrachloromethane 1217.89
    n-pentyl acetate 1488.78
    transcutol 3513.36
    n-heptanol 1319.53
    ethylbenzene 744.38
    MIBK 1906.13
    2-propoxyethanol 3409.03
    tert-butanol 2979.7
    MTBE 4477.55
    2-butoxyethanol 1364.18
    propionic acid 928.16
    o-xylene 803.73
    formic acid 85.51
    diethyl ether 4480.42
    m-xylene 1101.6
    p-xylene 788.6
    chlorobenzene 1384.07
    dimethyl carbonate 361.22
    n-octane 720.84
    formamide 120.23
    cyclopentanone 2582.98
    2-pentanone 2525.49
    anisole 1030.82
    cyclopentyl methyl ether 3023.04
    gamma-butyrolactone 1998.15
    1-methoxy-2-propanol 1726.52
    pyridine 2136.91
    3-pentanone 1713.45
    furfural 1240.92
    n-dodecane 395.08
    diethylene glycol 1022.98
    diisopropyl ether 2116.49
    tert-amyl alcohol 2318.15
    acetylacetone 1655.49
    n-hexadecane 450.56
    acetophenone 634.97
    methyl propionate 1464.77
    isopentyl acetate 4186.34
    trichloroethylene 2629.06
    n-nonanol 1101.22
    cyclohexanol 1927.12
    benzyl alcohol 577.21
    2-ethylhexanol 3450.29
    isooctanol 1142.13
    dipropyl ether 5534.7
    1,2-dichlorobenzene 1023.27
    ethyl lactate 423.25
    propylene carbonate 1360.78
    n-methylformamide 479.78
    2-pentanol 2243.84
    n-pentane 1975.48
    1-propoxy-2-propanol 3492.58
    1-methoxy-2-propyl acetate 2365.01
    2-(2-methoxypropoxy) propanol 986.45
    mesitylene 803.55
    ε-caprolactone 2232.28
    p-cymene 1006.02
    epichlorohydrin 2427.57
    1,1,1-trichloroethane 2817.91
    2-aminoethanol 387.14
    morpholine-4-carbaldehyde 1191.08
    sulfolane 1537.66
    2,2,4-trimethylpentane 673.41
    2-methyltetrahydrofuran 4566.53
    n-hexyl acetate 1863.75
    isooctane 831.96
    2-(2-butoxyethoxy)ethanol 1504.15
    sec-butyl acetate 1265.9
    tert-butyl acetate 2294.81
    decalin 691.79
    glycerin 298.18
    diglyme 2369.17
    acrylic acid 482.44
    isopropyl myristate 935.94
    n-butyric acid 2117.39
    acetyl acetate 1187.13
    di(2-ethylhexyl) phthalate 441.94
    ethyl propionate 1304.65
    nitromethane 909.33
    1,2-diethoxyethane 3296.44
    benzonitrile 1013.76
    trioctyl phosphate 472.41
    1-bromopropane 3431.71
    gamma-valerolactone 2252.31
    n-decanol 877.61
    triethyl phosphate 651.32
    4-methyl-2-pentanol 1568.52
    propionitrile 2183.12
    vinylene carbonate 937.21
    1,1,2-trichlorotrifluoroethane 1004.0
    DMS 686.33
    cumene 524.46
    2-octanol 942.06
    2-hexanone 1905.44
    octyl acetate 994.4
    limonene 1944.53
    1,2-dimethoxyethane 2430.95
    ethyl orthosilicate 775.05
    tributyl phosphate 581.02
    diacetone alcohol 1443.12
    N,N-dimethylaniline 594.31
    acrylonitrile 1477.71
    aniline 1199.8
    1,3-propanediol 778.74
    bromobenzene 1734.6
    dibromomethane 3009.67
    1,1,2,2-tetrachloroethane 2252.09
    2-methyl-cyclohexyl acetate 1428.76
    tetrabutyl urea 643.25
    diisobutyl methanol 1751.21
    2-phenylethanol 1318.39
    styrene 875.81
    dioctyl adipate 782.3
    dimethyl sulfate 347.55
    ethyl butyrate 3060.52
    methyl lactate 405.31
    butyl lactate 818.15
    diethyl carbonate 1351.44
    propanediol butyl ether 837.61
    triethyl orthoformate 1800.26
    p-tert-butyltoluene 995.33
    methyl 4-tert-butylbenzoate 698.77
    morpholine 3504.25
    tert-butylamine 3021.36
    n-dodecanol 730.13
    dimethoxymethane 1423.69
    ethylene carbonate 1047.23
    cyrene 454.15
    2-ethoxyethyl acetate 1308.77
    2-ethylhexyl acetate 3468.04
    1,2,4-trichlorobenzene 1005.43
    4-methylpyridine 2109.52
    dibutyl ether 3085.11
    2,6-dimethyl-4-heptanol 1751.21
    DEF 1616.2
    dimethyl isosorbide 1466.94
    tetrachloroethylene 1466.55
    eugenol 587.25
    triacetin 839.97
    span 80 1044.18
    1,4-butanediol 275.48
    1,1-dichloroethane 2969.95
    2-methyl-1-pentanol 1377.75
    methyl formate 370.19
    2-methyl-1-butanol 1972.56
    n-decane 710.57
    butyronitrile 3061.45
    3,7-dimethyl-1-octanol 1688.13
    1-chlorooctane 1382.78
    1-chlorotetradecane 561.47
    n-nonane 816.26
    undecane 508.88
    tert-butylcyclohexane 712.4
    cyclooctane 982.75
    cyclopentanol 1680.7
    tetrahydropyran 5193.6
    tert-amyl methyl ether 2501.44
    2,5,8-trioxanonane 1370.21
    1-hexene 3471.18
    2-isopropoxyethanol 981.2
    2,2,2-trifluoroethanol 158.77
    methyl butyrate 1654.47

    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