Methylcyclopentane

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  • Identifiers

    CAS number
    96-37-7

    Molecular formula
    C6H12

    SMILES
    CC1CCCC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • Carbowax: 700.0

  • Odor profile

    Sweet 48.69%
    Citrus 36.01%
    Musk 35.27%
    Dry 33.93%
    Woody 32.73%
    Amber 29.58%
    Gassy 26.36%
    Lemon 21.09%
    Animal 20.89%
    Clean 20.27%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.36 (weak base)

    Molecular weight
    84.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -224.3 °F (NTP, 1992)
    • -142.5 °C
    • -139.8 °C

    Boiling point

    • 161.2 °F at 760 mmHg (NTP, 1992)
    • 71.8 °C @ 760 MM HG

    Flash point est.
    -21.07 ˚C

    Flash point expt.

    • -11 °F (NTP, 1992)
    • Less than 20 °F (less than -7 °C) (Closed Cup)

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • Insoluble in water, miscible in ethanol, ether, and acetone.
    • water solubility = 42 mg/l @ 25 °C

  • Synonyms

    • METHYLCYCLOPENTANE
    • 96-37-7
    • Cyclopentane, methyl-
    • Methyl cyclopentane
    • Methylpentamethylene
    • Methyl-cyclopentane
    • CCRIS 6058
    • HSDB 876
    • UNII-5G26CC1ASK
    • EINECS 202-503-2
    • 5G26CC1ASK
    • NSC 24836
    • BRN 1900214
    • DTXSID3025590
    • CHEBI:88429
    • NSC-24836
    • DTXCID205590
    • 4-05-00-00084 (Beilstein Handbook Reference)
    • UN2298
    • cyclopentylmethane
    • cyclopentane, methyl
    • MFCD00001382
    • Methylcyclopentane, 97%
    • Methylcyclopentane [UN2298] [Flammable liquid]
    • WLN: L5TJ A1
    • CHEMBL30940
    • NSC24836
    • UFA12051
    • Tox21_202882
    • AKOS015842660
    • Methylcyclopentane, analytical standard
    • UN 2298
    • CAS-96-37-7
    • NCGC00260428-01
    • M0203
    • NS00019504
    • Methylcyclopentane [UN2298] [Flammable liquid]
    • Q412979
    • InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H
    • 202-503-2
    • 5310-57-6
    • Cyclopentane, methyl-; Methylcyclopentane; 1-Methyl-cyclopentanecarbaldehyde; Methycyclopentane; NSC 24836

  • Applications

    Methylcyclopentane (CAS 96-37-7) is a volatile saturated cyclic hydrocarbon used as a nonpolar solvent/diluent for oils, waxes, resins, rubbers, and additives in adhesives, coatings, and inks where fast evaporation and low aromatic content are desired; it serves as a feed/model compound in petroleum refining (catalytic reforming) to study isomerization to cyclohexane and aromatics formation, and as a probe molecule to assess acid/metal sites and shape selectivity of zeolites and bifunctional catalysts via hydroisomerization and hydrocracking; in fuel and combustion research it is employed as a representative naphthene/surrogate component in gasoline or jet-fuel mixtures to investigate autoignition, octane sensitivity, combustion kinetics, soot formation, laminar flame speed, and to validate mechanisms; it occurs as a minor constituent of gasoline-range streams and supports studies on evaporation/volatility and engine calibration; in analytical chemistry it is used as a reference/calibration or marker compound in GC/GC–MS method development, retention indexing, and headspace partitioning; in environmental engineering it supports VOC fate/transport and sorption/partitioning studies; it is also used as a flushing/degreasing agent in certain industrial processes with appropriate controls for flammability and VOC emissions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 525.25
    methanol 289.68
    isopropanol 544.69
    water 0.18
    ethyl acetate 1145.4
    n-propanol 606.08
    acetone 501.39
    n-butanol 720.0
    acetonitrile 462.27
    DMF 262.46
    toluene 622.57
    isobutanol 431.9
    1,4-dioxane 1168.62
    methyl acetate 608.47
    THF 1831.71
    2-butanone 718.46
    n-pentanol 408.85
    sec-butanol 629.52
    n-hexane 676.25
    ethylene glycol 68.0
    NMP 348.96
    cyclohexane 766.4
    DMSO 331.09
    n-butyl acetate 1709.36
    n-octanol 397.2
    chloroform 2119.3
    n-propyl acetate 546.83
    acetic acid 314.63
    dichloromethane 1390.48
    cyclohexanone 821.94
    propylene glycol 169.01
    isopropyl acetate 775.91
    DMAc 295.56
    2-ethoxyethanol 360.75
    isopentanol 621.85
    n-heptane 1088.68
    ethyl formate 328.16
    1,2-dichloroethane 820.09
    n-hexanol 1147.28
    2-methoxyethanol 539.3
    isobutyl acetate 371.62
    tetrachloromethane 531.62
    n-pentyl acetate 491.12
    transcutol 1703.85
    n-heptanol 419.93
    ethylbenzene 290.2
    MIBK 517.58
    2-propoxyethanol 1061.75
    tert-butanol 732.56
    MTBE 1045.64
    2-butoxyethanol 501.24
    propionic acid 390.26
    o-xylene 316.84
    formic acid 46.98
    diethyl ether 1384.99
    m-xylene 396.54
    p-xylene 291.49
    chlorobenzene 595.28
    dimethyl carbonate 167.87
    n-octane 253.58
    formamide 68.18
    cyclopentanone 864.78
    2-pentanone 781.02
    anisole 422.02
    cyclopentyl methyl ether 991.97
    gamma-butyrolactone 773.79
    1-methoxy-2-propanol 585.94
    pyridine 860.65
    3-pentanone 625.59
    furfural 575.74
    n-dodecane 142.52
    diethylene glycol 418.61
    diisopropyl ether 629.71
    tert-amyl alcohol 680.76
    acetylacetone 632.03
    n-hexadecane 159.17
    acetophenone 284.77
    methyl propionate 572.19
    isopentyl acetate 1158.78
    trichloroethylene 1229.73
    n-nonanol 382.81
    cyclohexanol 603.36
    benzyl alcohol 246.26
    2-ethylhexanol 1021.09
    isooctanol 357.69
    dipropyl ether 1874.89
    1,2-dichlorobenzene 473.03
    ethyl lactate 200.26
    propylene carbonate 582.68
    n-methylformamide 164.36
    2-pentanol 639.98
    n-pentane 594.05
    1-propoxy-2-propanol 1245.48
    1-methoxy-2-propyl acetate 1035.47
    2-(2-methoxypropoxy) propanol 502.72
    mesitylene 272.07
    ε-caprolactone 754.76
    p-cymene 391.17
    epichlorohydrin 881.3
    1,1,1-trichloroethane 1165.86
    2-aminoethanol 195.03
    morpholine-4-carbaldehyde 471.87
    sulfolane 587.58
    2,2,4-trimethylpentane 217.81
    2-methyltetrahydrofuran 1431.86
    n-hexyl acetate 639.11
    isooctane 212.57
    2-(2-butoxyethoxy)ethanol 715.98
    sec-butyl acetate 467.09
    tert-butyl acetate 778.55
    decalin 253.17
    glycerin 178.05
    diglyme 1085.31
    acrylic acid 245.88
    isopropyl myristate 354.39
    n-butyric acid 784.91
    acetyl acetate 616.67
    di(2-ethylhexyl) phthalate 203.19
    ethyl propionate 553.61
    nitromethane 338.93
    1,2-diethoxyethane 1293.3
    benzonitrile 389.35
    trioctyl phosphate 172.3
    1-bromopropane 1159.97
    gamma-valerolactone 766.51
    n-decanol 311.94
    triethyl phosphate 328.96
    4-methyl-2-pentanol 415.59
    propionitrile 671.59
    vinylene carbonate 415.87
    1,1,2-trichlorotrifluoroethane 527.93
    DMS 327.62
    cumene 194.51
    2-octanol 290.59
    2-hexanone 555.24
    octyl acetate 381.54
    limonene 717.26
    1,2-dimethoxyethane 713.17
    ethyl orthosilicate 377.94
    tributyl phosphate 226.78
    diacetone alcohol 547.26
    N,N-dimethylaniline 238.19
    acrylonitrile 483.02
    aniline 498.18
    1,3-propanediol 317.4
    bromobenzene 693.89
    dibromomethane 1269.53
    1,1,2,2-tetrachloroethane 1160.5
    2-methyl-cyclohexyl acetate 540.0
    tetrabutyl urea 249.42
    diisobutyl methanol 562.67
    2-phenylethanol 495.94
    styrene 364.53
    dioctyl adipate 363.9
    dimethyl sulfate 147.89
    ethyl butyrate 1168.68
    methyl lactate 206.95
    butyl lactate 337.64
    diethyl carbonate 617.06
    propanediol butyl ether 341.84
    triethyl orthoformate 808.39
    p-tert-butyltoluene 399.45
    methyl 4-tert-butylbenzoate 332.14
    morpholine 1196.08
    tert-butylamine 723.34
    n-dodecanol 266.16
    dimethoxymethane 426.11
    ethylene carbonate 422.0
    cyrene 210.3
    2-ethoxyethyl acetate 546.82
    2-ethylhexyl acetate 1017.65
    1,2,4-trichlorobenzene 505.73
    4-methylpyridine 696.05
    dibutyl ether 1065.67
    2,6-dimethyl-4-heptanol 562.67
    DEF 588.63
    dimethyl isosorbide 668.76
    tetrachloroethylene 749.59
    eugenol 277.9
    triacetin 436.51
    span 80 536.68
    1,4-butanediol 106.98
    1,1-dichloroethane 1053.51
    2-methyl-1-pentanol 408.53
    methyl formate 112.45
    2-methyl-1-butanol 546.07
    n-decane 256.75
    butyronitrile 796.82
    3,7-dimethyl-1-octanol 536.4
    1-chlorooctane 459.66
    1-chlorotetradecane 213.82
    n-nonane 291.32
    undecane 182.1
    tert-butylcyclohexane 232.59
    cyclooctane 349.41
    cyclopentanol 545.77
    tetrahydropyran 1640.69
    tert-amyl methyl ether 762.56
    2,5,8-trioxanonane 713.92
    1-hexene 1005.57
    2-isopropoxyethanol 347.53
    2,2,2-trifluoroethanol 91.6
    methyl butyrate 565.8

    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

Botanical

Name CAS Botanical Proportion
Annual wormwood (China) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.03%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.01%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%