(Prop-1-en-2-yl)cyclohexane

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  • Identifiers

    CAS number
    2157-18-8

    Molecular formula
    C9H16

    SMILES
    CC(=C)C1CCCCC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Citrus 67.55%
    Woody 62.43%
    Herbal 60.36%
    Terpenic 56.15%
    Sweet 52.48%
    Lemon 50.0%
    Fresh 47.91%
    Spicy 46.93%
    Pine 45.22%
    Mint 34.46%

     

    Flavor
    Woody 39.83%
    Herbal 39.3%
    Wood 36.17%
    Spice 33.13%
    Herb 28.34%
    Citrus 25.73%
    Terpene 25.38%
    Citric 23.38%
    Fresh 23.28%
    Terpentine 22.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    9.9 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    154°C

    Flash point

    • 31.14 ˚C est.

  • Synonyms

    • (Prop-1-en-2-yl)cyclohexane
    • isopropenylcyclohexane
    • 2157-18-8
    • prop-1-en-2-ylcyclohexane
    • Cyclohexane, 1-methylethenyl
    • Cyclohexane, (1-methylethenyl)-
    • isopropenyl-cyclohexane
    • 4-(1-methylethenyl) cyclohexane
    • SWLGTNLRTUGMHV-UHFFFAOYSA-N
    • CAA15718
    • AKOS013990308
    • CS-0245939
    • EN300-313753
    • G40164
    • 899-795-2

  • Applications

    (Prop-1-en-2-yl)cyclohexane (CAS 2157-18-8) has practical applications including use as an organic synthesis intermediate; as a fragrance ingredient or odorant in perfumery and cosmetics; as a monomer or reactive diluent in specialty polymers and coatings; as a precursor in the production of higher-value industrial chemicals; and as a crosslinkable component in adhesive formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1544.54
    methanol 748.96
    isopropanol 1831.08
    water 0.05
    ethyl acetate 3358.56
    n-propanol 1739.19
    acetone 2889.27
    n-butanol 2257.27
    acetonitrile 1985.4
    DMF 1385.64
    toluene 2355.2
    isobutanol 1541.65
    1,4-dioxane 4145.4
    methyl acetate 2291.07
    THF 6989.07
    2-butanone 3070.05
    n-pentanol 1350.85
    sec-butanol 2105.21
    n-hexane 2316.22
    ethylene glycol 71.63
    NMP 1480.7
    cyclohexane 2591.07
    DMSO 1420.39
    n-butyl acetate 6010.62
    n-octanol 1057.99
    chloroform 5558.67
    n-propyl acetate 2005.44
    acetic acid 597.43
    dichloromethane 4215.58
    cyclohexanone 3966.74
    propylene glycol 223.38
    isopropyl acetate 2365.83
    DMAc 1129.4
    2-ethoxyethanol 919.06
    isopentanol 2067.81
    n-heptane 2499.7
    ethyl formate 1185.31
    1,2-dichloroethane 2974.36
    n-hexanol 3602.44
    2-methoxyethanol 1353.43
    isobutyl acetate 1384.92
    tetrachloromethane 1547.8
    n-pentyl acetate 1684.52
    transcutol 3819.76
    n-heptanol 1084.8
    ethylbenzene 960.28
    MIBK 1961.63
    2-propoxyethanol 2836.6
    tert-butanol 2904.89
    MTBE 4639.73
    2-butoxyethanol 1218.5
    propionic acid 883.96
    o-xylene 1059.98
    formic acid 58.2
    diethyl ether 5291.32
    m-xylene 1356.7
    p-xylene 1053.77
    chlorobenzene 1962.68
    dimethyl carbonate 426.9
    n-octane 601.77
    formamide 108.16
    cyclopentanone 3649.75
    2-pentanone 2946.22
    anisole 1319.19
    cyclopentyl methyl ether 4030.54
    gamma-butyrolactone 2820.6
    1-methoxy-2-propanol 1551.39
    pyridine 3004.74
    3-pentanone 2240.55
    furfural 1709.95
    n-dodecane 295.49
    diethylene glycol 721.59
    diisopropyl ether 2059.15
    tert-amyl alcohol 2212.22
    acetylacetone 1998.79
    n-hexadecane 349.35
    acetophenone 851.47
    methyl propionate 1720.57
    isopentyl acetate 4202.82
    trichloroethylene 3898.0
    n-nonanol 940.99
    cyclohexanol 2164.83
    benzyl alcohol 666.66
    2-ethylhexanol 2784.48
    isooctanol 935.0
    dipropyl ether 5973.18
    1,2-dichlorobenzene 1489.26
    ethyl lactate 436.41
    propylene carbonate 1785.27
    n-methylformamide 549.68
    2-pentanol 2056.22
    n-pentane 1868.0
    1-propoxy-2-propanol 3157.32
    1-methoxy-2-propyl acetate 2539.79
    2-(2-methoxypropoxy) propanol 923.06
    mesitylene 923.45
    ε-caprolactone 2821.49
    p-cymene 997.54
    epichlorohydrin 3482.18
    1,1,1-trichloroethane 4124.33
    2-aminoethanol 267.59
    morpholine-4-carbaldehyde 1614.82
    sulfolane 2370.73
    2,2,4-trimethylpentane 575.97
    2-methyltetrahydrofuran 5755.89
    n-hexyl acetate 2038.99
    isooctane 594.21
    2-(2-butoxyethoxy)ethanol 1446.91
    sec-butyl acetate 1438.97
    tert-butyl acetate 2565.52
    decalin 724.25
    glycerin 224.0
    diglyme 2627.69
    acrylic acid 452.35
    isopropyl myristate 909.84
    n-butyric acid 2095.97
    acetyl acetate 1357.95
    di(2-ethylhexyl) phthalate 449.87
    ethyl propionate 1617.43
    nitromethane 1089.96
    1,2-diethoxyethane 3974.51
    benzonitrile 1393.18
    trioctyl phosphate 432.9
    1-bromopropane 4212.96
    gamma-valerolactone 2984.29
    n-decanol 727.34
    triethyl phosphate 658.76
    4-methyl-2-pentanol 1210.78
    propionitrile 2481.33
    vinylene carbonate 1229.73
    1,1,2-trichlorotrifluoroethane 1239.82
    DMS 829.76
    cumene 597.0
    2-octanol 832.19
    2-hexanone 2159.02
    octyl acetate 980.21
    limonene 1999.87
    1,2-dimethoxyethane 2606.75
    ethyl orthosilicate 768.48
    tributyl phosphate 572.9
    diacetone alcohol 1522.56
    N,N-dimethylaniline 756.11
    acrylonitrile 1743.82
    aniline 1568.68
    1,3-propanediol 615.84
    bromobenzene 2453.88
    dibromomethane 3742.5
    1,1,2,2-tetrachloroethane 3476.45
    2-methyl-cyclohexyl acetate 1427.35
    tetrabutyl urea 685.47
    diisobutyl methanol 1469.15
    2-phenylethanol 1259.23
    styrene 1196.45
    dioctyl adipate 825.47
    dimethyl sulfate 481.42
    ethyl butyrate 3235.25
    methyl lactate 407.26
    butyl lactate 840.33
    diethyl carbonate 1374.74
    propanediol butyl ether 755.46
    triethyl orthoformate 1789.34
    p-tert-butyltoluene 1004.12
    methyl 4-tert-butylbenzoate 810.3
    morpholine 4254.1
    tert-butylamine 2625.72
    n-dodecanol 584.13
    dimethoxymethane 1609.61
    ethylene carbonate 1397.07
    cyrene 520.34
    2-ethoxyethyl acetate 1527.02
    2-ethylhexyl acetate 3384.71
    1,2,4-trichlorobenzene 1487.73
    4-methylpyridine 3113.83
    dibutyl ether 3255.83
    2,6-dimethyl-4-heptanol 1469.15
    DEF 2239.91
    dimethyl isosorbide 1629.2
    tetrachloroethylene 2104.34
    eugenol 634.08
    triacetin 946.1
    span 80 963.09
    1,4-butanediol 201.01
    1,1-dichloroethane 4192.25
    2-methyl-1-pentanol 1241.37
    methyl formate 430.72
    2-methyl-1-butanol 1817.3
    n-decane 569.57
    butyronitrile 3238.52
    3,7-dimethyl-1-octanol 1375.41
    1-chlorooctane 1358.35
    1-chlorotetradecane 489.96
    n-nonane 673.58
    undecane 389.34
    tert-butylcyclohexane 702.59
    cyclooctane 1009.48
    cyclopentanol 1868.87
    tetrahydropyran 6967.6
    tert-amyl methyl ether 2657.85
    2,5,8-trioxanonane 1456.1
    1-hexene 3914.16
    2-isopropoxyethanol 904.86
    2,2,2-trifluoroethanol 141.69
    methyl butyrate 1966.27

    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