Methylcyclopropane

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  • Identifiers

    CAS number
    594-11-6

    Molecular formula
    C4H8

    SMILES
    CC1CC1

    Safety labels

  • Odor profile

    Fragrance
    Sweet 42.61%
    Citrus 42.11%
    Woody 30.3%
    Gassy 30.11%
    Dry 28.39%
    Lemon 25.62%
    Fresh 25.5%
    Musk 23.47%
    Amber 22.36%
    Pine 22.16%

     

    Flavor
    Alkane 23.44%
    Old paper 20.4%
    Terpenic 19.75%
    Soil 19.71%
    Beet 19.53%
    Dry 19.13%
    Fir needle 19.07%
    Sweet 18.57%
    Pine 18.54%
    Rotten 18.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.97 (neutral)

    Molecular weight
    56.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    6°C

    Flash point

    • -66.02 ˚C est.

  • Synonyms

    • METHYLCYCLOPROPANE
    • Cyclopropane, methyl-
    • 594-11-6
    • 1-Methylcyclopropane
    • LK35EZ3VK8
    • 1-MC propane
    • DTXSID5060481
    • RefChem:158167
    • DTXCID5042615
    • 209-825-2
    • EINECS 209-825-2
    • cyclopropylmethane
    • UNII-LK35EZ3VK8
    • SCHEMBL1181
    • SCHEMBL1182
    • SCHEMBL6740
    • SCHEMBL12113
    • SCHEMBL38170
    • SCHEMBL527046
    • SCHEMBL634582
    • SCHEMBL8034554
    • SCHEMBL16617206
    • SCHEMBL16617782
    • NS00021235
    • Q2249673
    • InChI=1/C4H8/c1-4-2-3-4/h4H,2-3H2,1H
    • 594-11-6

  • Applications

    Chemical name: Methylcyclopropane; CAS 594-11-6. Methylcyclopropane is used primarily as a nonpolar solvent and diluent in a range of industrial formulations, including coatings and inks, where it helps dissolve hydrophobic components and adjust rheology. It also serves as an intermediate or building block for cyclopropyl-containing compounds, supporting synthetic routes in pharmaceutical and agrochemical research and development. In polymers and plastics processing, it can act as a solvent or processing aid to adjust formulation viscosity and component compatibility. In laboratory and pilot-scale settings, it is used as a solvent and/or reagent in organic syntheses. Use is typically restricted to controlled industrial contexts and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 344.99
    methanol 217.41
    isopropanol 306.79
    water 0.11
    ethyl acetate 231.87
    n-propanol 315.35
    acetone 273.37
    n-butanol 368.84
    acetonitrile 153.32
    DMF 129.46
    toluene 112.55
    isobutanol 233.72
    1,4-dioxane 364.49
    methyl acetate 168.56
    THF 779.94
    2-butanone 247.18
    n-pentanol 226.99
    sec-butanol 299.73
    n-hexane 220.13
    ethylene glycol 63.27
    NMP 145.63
    cyclohexane 261.65
    DMSO 215.67
    n-butyl acetate 470.93
    n-octanol 165.97
    chloroform 377.09
    n-propyl acetate 174.42
    acetic acid 211.97
    dichloromethane 287.44
    cyclohexanone 312.59
    propylene glycol 138.29
    isopropyl acetate 161.91
    DMAc 111.29
    2-ethoxyethanol 188.84
    isopentanol 272.8
    n-heptane 378.47
    ethyl formate 111.22
    1,2-dichloroethane 195.2
    n-hexanol 594.48
    2-methoxyethanol 278.43
    isobutyl acetate 124.01
    tetrachloromethane 103.97
    n-pentyl acetate 128.66
    transcutol 589.58
    n-heptanol 185.29
    ethylbenzene 63.91
    MIBK 162.91
    2-propoxyethanol 494.56
    tert-butanol 365.81
    MTBE 320.42
    2-butoxyethanol 218.36
    propionic acid 188.21
    o-xylene 68.32
    formic acid 38.19
    diethyl ether 376.93
    m-xylene 78.88
    p-xylene 78.0
    chlorobenzene 120.22
    dimethyl carbonate 41.11
    n-octane 78.27
    formamide 38.66
    cyclopentanone 333.95
    2-pentanone 261.98
    anisole 108.03
    cyclopentyl methyl ether 351.52
    gamma-butyrolactone 256.15
    1-methoxy-2-propanol 266.82
    pyridine 243.24
    3-pentanone 175.94
    furfural 175.71
    n-dodecane 42.21
    diethylene glycol 243.81
    diisopropyl ether 154.27
    tert-amyl alcohol 290.67
    acetylacetone 176.14
    n-hexadecane 45.93
    acetophenone 81.03
    methyl propionate 146.63
    isopentyl acetate 330.93
    trichloroethylene 267.09
    n-nonanol 146.4
    cyclohexanol 289.08
    benzyl alcohol 84.33
    2-ethylhexanol 385.46
    isooctanol 135.12
    dipropyl ether 561.15
    1,2-dichlorobenzene 87.1
    ethyl lactate 74.37
    propylene carbonate 162.08
    n-methylformamide 79.42
    2-pentanol 281.55
    n-pentane 199.06
    1-propoxy-2-propanol 517.59
    1-methoxy-2-propyl acetate 280.86
    2-(2-methoxypropoxy) propanol 178.47
    mesitylene 58.86
    ε-caprolactone 240.55
    p-cymene 103.84
    epichlorohydrin 283.89
    1,1,1-trichloroethane 202.24
    2-aminoethanol 133.53
    morpholine-4-carbaldehyde 178.63
    sulfolane 241.34
    2,2,4-trimethylpentane 64.28
    2-methyltetrahydrofuran 522.26
    n-hexyl acetate 188.35
    isooctane 69.93
    2-(2-butoxyethoxy)ethanol 271.47
    sec-butyl acetate 122.9
    tert-butyl acetate 178.17
    decalin 71.78
    glycerin 131.95
    diglyme 384.01
    acrylic acid 126.25
    isopropyl myristate 94.17
    n-butyric acid 296.15
    acetyl acetate 119.41
    di(2-ethylhexyl) phthalate 67.79
    ethyl propionate 134.1
    nitromethane 151.95
    1,2-diethoxyethane 329.93
    benzonitrile 105.96
    trioctyl phosphate 63.76
    1-bromopropane 269.6
    gamma-valerolactone 289.26
    n-decanol 115.66
    triethyl phosphate 87.52
    4-methyl-2-pentanol 156.27
    propionitrile 181.66
    vinylene carbonate 107.8
    1,1,2-trichlorotrifluoroethane 187.37
    DMS 90.06
    cumene 50.08
    2-octanol 106.7
    2-hexanone 213.39
    octyl acetate 110.87
    limonene 202.89
    1,2-dimethoxyethane 301.85
    ethyl orthosilicate 96.92
    tributyl phosphate 77.76
    diacetone alcohol 195.13
    N,N-dimethylaniline 70.23
    acrylonitrile 137.28
    aniline 125.55
    1,3-propanediol 191.15
    bromobenzene 126.04
    dibromomethane 275.86
    1,1,2,2-tetrachloroethane 235.64
    2-methyl-cyclohexyl acetate 169.06
    tetrabutyl urea 88.37
    diisobutyl methanol 204.63
    2-phenylethanol 165.37
    styrene 77.83
    dioctyl adipate 113.93
    dimethyl sulfate 45.71
    ethyl butyrate 274.86
    methyl lactate 78.47
    butyl lactate 115.79
    diethyl carbonate 138.47
    propanediol butyl ether 183.09
    triethyl orthoformate 192.95
    p-tert-butyltoluene 100.88
    methyl 4-tert-butylbenzoate 91.82
    morpholine 444.68
    tert-butylamine 311.91
    n-dodecanol 96.26
    dimethoxymethane 152.64
    ethylene carbonate 109.43
    cyrene 99.48
    2-ethoxyethyl acetate 134.47
    2-ethylhexyl acetate 278.68
    1,2,4-trichlorobenzene 106.44
    4-methylpyridine 176.98
    dibutyl ether 278.58
    2,6-dimethyl-4-heptanol 204.63
    DEF 168.55
    dimethyl isosorbide 230.74
    tetrachloroethylene 165.15
    eugenol 94.97
    triacetin 132.52
    span 80 203.41
    1,4-butanediol 80.88
    1,1-dichloroethane 230.41
    2-methyl-1-pentanol 186.06
    methyl formate 55.73
    2-methyl-1-butanol 252.93
    n-decane 74.03
    butyronitrile 252.93
    3,7-dimethyl-1-octanol 184.73
    1-chlorooctane 128.51
    1-chlorotetradecane 57.07
    n-nonane 85.42
    undecane 53.0
    tert-butylcyclohexane 69.78
    cyclooctane 105.87
    cyclopentanol 292.36
    tetrahydropyran 582.58
    tert-amyl methyl ether 223.24
    2,5,8-trioxanonane 256.63
    1-hexene 323.89
    2-isopropoxyethanol 163.84
    2,2,2-trifluoroethanol 42.99
    methyl butyrate 166.71

    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