3-Methylenecyclohexene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1888-90-0

    Molecular formula
    C7H10

    SMILES
    C=C1CCCC=C1

    Safety labels

  • Odor profile

    Fragrance
    Citrus 48.77%
    Herbal 32.08%
    Gassy 31.11%
    Spicy 30.33%
    Mint 29.75%
    Lemon 28.19%
    Terpenic 24.53%
    Woody 24.35%
    Warm 23.63%
    Musk 23.29%

     

    Flavor
    Spice 30.08%
    Mint 25.91%
    Shrimp 21.61%
    Terpentine 21.27%
    Ammoniacal 21.1%
    Citric 19.46%
    Alkaline 19.4%
    Camphor 19.11%
    Basil 18.94%
    Nitrile 18.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.54 (weak base)

    Molecular weight
    94.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    113°C

    Flash point

    • 5.81 ˚C est.

  • Synonyms

    • 3-Methylenecyclohexene
    • 1-Methylene-2-cyclohexene
    • Cyclohexene, 3-methylene-
    • 1888-90-0
    • 3-Methylene-1-cyclohexene
    • NSC-560
    • 3-methylene-cyclohexene
    • UNII-7LM295U1K9
    • FEMA no. 4311, Methylenecyclohexene-
    • 7LM295U1K9
    • DTXSID40172250
    • RefChem:94888
    • DTXCID9094741
    • XVKFDCVTYBMNRZ-UHFFFAOYSA-N
    • 3-methylidenecyclohexene
    • methylenecyclohexene
    • Cyclohexene, methylene-
    • 3-methylidenecyclohex-1-ene
    • NSC560
    • 3-Methylene-1-cyclohexene #
    • SCHEMBL204351
    • SCHEMBL2805958
    • SCHEMBL3457327
    • Q27268527
    • 1888-90-0

  • Applications

    3-Methylenecyclohexene (CAS 1888-90-0) is primarily used as an organic synthesis intermediate, enabling construction of cyclic and polycyclic frameworks via cycloaddition and rearrangement reactions. Its exocyclic vinylidene substituent provides a versatile building block for preparing complex intermediates used in pharmaceutical and agrochemical development. It also serves as a potential monomer or crosslinkable component in specialty polymers, thanks to the reactive exocyclic methylene functionality. Additionally, 3-Methylenecyclohexene is commonly employed as a research reagent to explore reaction mechanisms and to design new synthetic routes in both laboratory and industrial settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 985.59
    methanol 702.63
    isopropanol 561.87
    water 0.17
    ethyl acetate 1809.09
    n-propanol 787.19
    acetone 748.79
    n-butanol 911.87
    acetonitrile 667.97
    DMF 410.99
    toluene 906.65
    isobutanol 414.99
    1,4-dioxane 1641.31
    methyl acetate 876.26
    THF 2108.58
    2-butanone 1021.86
    n-pentanol 619.31
    sec-butanol 663.26
    n-hexane 552.88
    ethylene glycol 56.44
    NMP 467.21
    cyclohexane 553.95
    DMSO 504.32
    n-butyl acetate 2574.28
    n-octanol 307.71
    chloroform 2351.43
    n-propyl acetate 739.03
    acetic acid 409.77
    dichloromethane 1873.24
    cyclohexanone 1026.25
    propylene glycol 110.83
    isopropyl acetate 921.76
    DMAc 428.15
    2-ethoxyethanol 521.47
    isopentanol 618.63
    n-heptane 692.87
    ethyl formate 471.91
    1,2-dichloroethane 1030.75
    n-hexanol 1291.61
    2-methoxyethanol 704.69
    isobutyl acetate 405.91
    tetrachloromethane 492.62
    n-pentyl acetate 641.85
    transcutol 2355.38
    n-heptanol 342.24
    ethylbenzene 273.82
    MIBK 531.28
    2-propoxyethanol 1219.77
    tert-butanol 574.91
    MTBE 1044.79
    2-butoxyethanol 422.69
    propionic acid 441.64
    o-xylene 314.75
    formic acid 80.17
    diethyl ether 2529.02
    m-xylene 434.05
    p-xylene 256.06
    chlorobenzene 665.92
    dimethyl carbonate 173.47
    n-octane 144.52
    formamide 115.78
    cyclopentanone 951.0
    2-pentanone 1148.46
    anisole 456.68
    cyclopentyl methyl ether 1279.49
    gamma-butyrolactone 798.17
    1-methoxy-2-propanol 613.95
    pyridine 1352.64
    3-pentanone 848.11
    furfural 619.12
    n-dodecane 70.17
    diethylene glycol 390.34
    diisopropyl ether 595.08
    tert-amyl alcohol 578.29
    acetylacetone 689.69
    n-hexadecane 77.88
    acetophenone 303.89
    methyl propionate 806.87
    isopentyl acetate 1283.26
    trichloroethylene 1436.39
    n-nonanol 296.25
    cyclohexanol 596.39
    benzyl alcohol 266.93
    2-ethylhexanol 850.53
    isooctanol 252.61
    dipropyl ether 1947.56
    1,2-dichlorobenzene 408.78
    ethyl lactate 151.26
    propylene carbonate 497.36
    n-methylformamide 249.16
    2-pentanol 684.12
    n-pentane 578.81
    1-propoxy-2-propanol 1175.74
    1-methoxy-2-propyl acetate 1004.6
    2-(2-methoxypropoxy) propanol 374.01
    mesitylene 233.36
    ε-caprolactone 970.41
    p-cymene 259.18
    epichlorohydrin 1101.98
    1,1,1-trichloroethane 1040.32
    2-aminoethanol 180.53
    morpholine-4-carbaldehyde 649.63
    sulfolane 544.7
    2,2,4-trimethylpentane 129.36
    2-methyltetrahydrofuran 1856.98
    n-hexyl acetate 643.71
    isooctane 131.56
    2-(2-butoxyethoxy)ethanol 623.39
    sec-butyl acetate 491.56
    tert-butyl acetate 669.33
    decalin 152.84
    glycerin 121.27
    diglyme 1024.23
    acrylic acid 245.74
    isopropyl myristate 246.02
    n-butyric acid 921.65
    acetyl acetate 675.19
    di(2-ethylhexyl) phthalate 149.32
    ethyl propionate 622.96
    nitromethane 539.91
    1,2-diethoxyethane 2083.59
    benzonitrile 494.87
    trioctyl phosphate 115.48
    1-bromopropane 1560.35
    gamma-valerolactone 904.64
    n-decanol 230.35
    triethyl phosphate 223.61
    4-methyl-2-pentanol 328.78
    propionitrile 789.84
    vinylene carbonate 420.37
    1,1,2-trichlorotrifluoroethane 455.28
    DMS 319.39
    cumene 149.56
    2-octanol 221.94
    2-hexanone 744.29
    octyl acetate 308.66
    limonene 495.27
    1,2-dimethoxyethane 931.73
    ethyl orthosilicate 267.65
    tributyl phosphate 169.55
    diacetone alcohol 453.92
    N,N-dimethylaniline 220.95
    acrylonitrile 598.14
    aniline 595.17
    1,3-propanediol 323.34
    bromobenzene 794.09
    dibromomethane 1543.35
    1,1,2,2-tetrachloroethane 1087.28
    2-methyl-cyclohexyl acetate 441.15
    tetrabutyl urea 206.05
    diisobutyl methanol 387.53
    2-phenylethanol 498.81
    styrene 391.27
    dioctyl adipate 249.08
    dimethyl sulfate 156.56
    ethyl butyrate 1204.3
    methyl lactate 171.24
    butyl lactate 260.3
    diethyl carbonate 496.68
    propanediol butyl ether 256.24
    triethyl orthoformate 647.06
    p-tert-butyltoluene 246.01
    methyl 4-tert-butylbenzoate 224.1
    morpholine 1758.61
    tert-butylamine 488.7
    n-dodecanol 187.98
    dimethoxymethane 652.03
    ethylene carbonate 425.47
    cyrene 176.8
    2-ethoxyethyl acetate 741.67
    2-ethylhexyl acetate 1157.55
    1,2,4-trichlorobenzene 453.6
    4-methylpyridine 1142.51
    dibutyl ether 1028.12
    2,6-dimethyl-4-heptanol 387.53
    DEF 984.36
    dimethyl isosorbide 562.42
    tetrachloroethylene 788.43
    eugenol 208.48
    triacetin 354.58
    span 80 355.51
    1,4-butanediol 101.11
    1,1-dichloroethane 1262.87
    2-methyl-1-pentanol 498.19
    methyl formate 149.8
    2-methyl-1-butanol 592.1
    n-decane 136.66
    butyronitrile 1069.26
    3,7-dimethyl-1-octanol 390.54
    1-chlorooctane 344.29
    1-chlorotetradecane 124.6
    n-nonane 152.35
    undecane 92.06
    tert-butylcyclohexane 148.44
    cyclooctane 236.01
    cyclopentanol 453.74
    tetrahydropyran 2285.2
    tert-amyl methyl ether 796.23
    2,5,8-trioxanonane 657.83
    1-hexene 1173.6
    2-isopropoxyethanol 394.77
    2,2,2-trifluoroethanol 81.94
    methyl butyrate 684.26

    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