3-Methyl-4-methylenebicyclo(3.2.1)oct-2-ene

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  • Identifiers

    CAS number
    49826-53-1

    Molecular formula
    C10H14

    SMILES
    CC1=CC2CCC(C2)C1=C

  • Odor profile

    Woody 62.98%
    Herbal 51.02%
    Citrus 48.23%
    Spicy 45.63%
    Green 45.5%
    Fresh 45.2%
    Fruity 40.03%
    Terpenic 38.16%
    Mint 33.07%
    Sweet 31.56%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    182°C

    Flash point est.
    48.93 ˚C

  • Synonyms

    • 49826-53-1
    • 3-methyl-4-methylidenebicyclo[3.2.1]oct-2-ene
    • 3-METHYL-4-METHYLENEBICYCLO(3.2.1)OCT-2-ENE
    • Bicyclo[3.2.1]oct-2-ene, 3-methyl-4-methylene-
    • DTXSID60866144
    • AUDQUDMLUZNYFA-UHFFFAOYSA-N
    • NS00120234
    • 3-Methyl-4-methylenebicyclo[3.2.1]oct-2-ene #

  • Applications

    3-Methyl-4-methylenebicyclo(3.2.1)oct-2-ene (CAS 49826-53-1) is a bicyclic hydrocarbon with appreciable ring strain and an exocyclic double bond, making it useful in organic research as a reactive scaffold for probing functionalization and addition chemistry (metathesis, hydrogenation, epoxidation, ozonolysis), cycloadditions, and rearrangement mechanisms; in synthesis it serves as a precursor or building block for terpenoid derivatives, pharmaceutical and agrochemical intermediates, and functional materials; in materials science this expanded norbornene-like framework can be explored as a mono- or comonomer for ring-opening metathesis polymerization to tune polymer rigidity, glass-transition temperature, and crosslink density; it is also employed as a reference compound and model molecule in kinetic, stereochemical, and structure–property studies, as well as for refining selective olefin-catalysis platforms; practical deployment is governed by safety, toxicological, and regulatory considerations, so risk assessment and compliance are essential before broader use.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 689.97
    methanol 647.48
    isopropanol 509.19
    water 0.48
    ethyl acetate 1052.81
    n-propanol 608.44
    acetone 641.9
    n-butanol 667.37
    acetonitrile 658.99
    DMF 405.25
    toluene 939.17
    isobutanol 402.85
    1,4-dioxane 1551.05
    methyl acetate 641.92
    THF 2113.03
    2-butanone 669.78
    n-pentanol 368.35
    sec-butanol 406.9
    n-hexane 241.94
    ethylene glycol 52.77
    NMP 394.27
    cyclohexane 387.11
    DMSO 332.04
    n-butyl acetate 1254.78
    n-octanol 222.23
    chloroform 1899.89
    n-propyl acetate 453.71
    acetic acid 312.03
    dichloromethane 1580.34
    cyclohexanone 939.64
    propylene glycol 83.03
    isopropyl acetate 687.55
    DMAc 334.96
    2-ethoxyethanol 366.6
    isopentanol 555.13
    n-heptane 272.87
    ethyl formate 409.27
    1,2-dichloroethane 908.17
    n-hexanol 776.37
    2-methoxyethanol 618.86
    isobutyl acetate 324.54
    tetrachloromethane 462.89
    n-pentyl acetate 415.72
    transcutol 1924.72
    n-heptanol 252.49
    ethylbenzene 270.88
    MIBK 520.82
    2-propoxyethanol 907.71
    tert-butanol 560.9
    MTBE 916.12
    2-butoxyethanol 391.66
    propionic acid 293.9
    o-xylene 346.98
    formic acid 93.21
    diethyl ether 1577.56
    m-xylene 522.92
    p-xylene 286.03
    chlorobenzene 693.18
    dimethyl carbonate 217.83
    n-octane 79.48
    formamide 148.42
    cyclopentanone 872.77
    2-pentanone 742.74
    anisole 465.45
    cyclopentyl methyl ether 1041.52
    gamma-butyrolactone 806.21
    1-methoxy-2-propanol 501.9
    pyridine 1161.6
    3-pentanone 595.14
    furfural 611.68
    n-dodecane 47.57
    diethylene glycol 371.54
    diisopropyl ether 508.82
    tert-amyl alcohol 387.12
    acetylacetone 656.96
    n-hexadecane 54.67
    acetophenone 300.64
    methyl propionate 562.69
    isopentyl acetate 1010.12
    trichloroethylene 1339.25
    n-nonanol 214.45
    cyclohexanol 480.5
    benzyl alcohol 258.75
    2-ethylhexanol 490.45
    isooctanol 223.02
    dipropyl ether 1030.61
    1,2-dichlorobenzene 518.09
    ethyl lactate 125.96
    propylene carbonate 453.38
    n-methylformamide 272.77
    2-pentanol 445.24
    n-pentane 284.37
    1-propoxy-2-propanol 718.36
    1-methoxy-2-propyl acetate 814.34
    2-(2-methoxypropoxy) propanol 373.01
    mesitylene 327.11
    ε-caprolactone 745.42
    p-cymene 244.51
    epichlorohydrin 1061.63
    1,1,1-trichloroethane 919.44
    2-aminoethanol 151.14
    morpholine-4-carbaldehyde 611.06
    sulfolane 521.54
    2,2,4-trimethylpentane 106.18
    2-methyltetrahydrofuran 1376.94
    n-hexyl acetate 499.47
    isooctane 121.23
    2-(2-butoxyethoxy)ethanol 556.71
    sec-butyl acetate 326.61
    tert-butyl acetate 672.32
    decalin 132.68
    glycerin 113.64
    diglyme 1022.61
    acrylic acid 186.35
    isopropyl myristate 227.22
    n-butyric acid 639.93
    acetyl acetate 520.9
    di(2-ethylhexyl) phthalate 162.87
    ethyl propionate 383.26
    nitromethane 473.59
    1,2-diethoxyethane 1324.26
    benzonitrile 483.55
    trioctyl phosphate 123.34
    1-bromopropane 922.06
    gamma-valerolactone 912.59
    n-decanol 167.16
    triethyl phosphate 200.45
    4-methyl-2-pentanol 302.59
    propionitrile 687.38
    vinylene carbonate 443.16
    1,1,2-trichlorotrifluoroethane 372.35
    DMS 350.25
    cumene 178.19
    2-octanol 163.4
    2-hexanone 430.58
    octyl acetate 244.26
    limonene 369.67
    1,2-dimethoxyethane 802.91
    ethyl orthosilicate 229.25
    tributyl phosphate 167.24
    diacetone alcohol 408.6
    N,N-dimethylaniline 261.13
    acrylonitrile 557.35
    aniline 593.3
    1,3-propanediol 331.45
    bromobenzene 831.9
    dibromomethane 1171.38
    1,1,2,2-tetrachloroethane 905.55
    2-methyl-cyclohexyl acetate 367.83
    tetrabutyl urea 178.55
    diisobutyl methanol 306.79
    2-phenylethanol 442.11
    styrene 330.13
    dioctyl adipate 243.45
    dimethyl sulfate 182.45
    ethyl butyrate 634.57
    methyl lactate 157.44
    butyl lactate 213.34
    diethyl carbonate 337.39
    propanediol butyl ether 229.38
    triethyl orthoformate 433.85
    p-tert-butyltoluene 256.9
    methyl 4-tert-butylbenzoate 294.94
    morpholine 1419.25
    tert-butylamine 470.17
    n-dodecanol 132.02
    dimethoxymethane 780.16
    ethylene carbonate 437.43
    cyrene 214.79
    2-ethoxyethyl acetate 598.06
    2-ethylhexyl acetate 814.13
    1,2,4-trichlorobenzene 527.29
    4-methylpyridine 1056.84
    dibutyl ether 563.25
    2,6-dimethyl-4-heptanol 306.79
    DEF 593.79
    dimethyl isosorbide 619.99
    tetrachloroethylene 664.4
    eugenol 253.83
    triacetin 330.16
    span 80 297.02
    1,4-butanediol 91.22
    1,1-dichloroethane 1021.62
    2-methyl-1-pentanol 343.2
    methyl formate 203.74
    2-methyl-1-butanol 459.74
    n-decane 84.15
    butyronitrile 803.81
    3,7-dimethyl-1-octanol 305.25
    1-chlorooctane 233.31
    1-chlorotetradecane 102.27
    n-nonane 83.63
    undecane 60.54
    tert-butylcyclohexane 131.41
    cyclooctane 165.58
    cyclopentanol 402.77
    tetrahydropyran 1675.57
    tert-amyl methyl ether 546.35
    2,5,8-trioxanonane 635.47
    1-hexene 499.4
    2-isopropoxyethanol 289.59
    2,2,2-trifluoroethanol 101.24
    methyl butyrate 419.29

    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
Juniperus martinezii Juniperus martinezii Perez de la Rosa, fam. Cupressaceae 1.8%
Juniperus flaccida var. flaccida Juniperus flaccida Schlecht, var. flaccida, fam. Cupressaceae 1.6%
Juniperus flaccida var. poblana Juniperus flaccida var. poblana Martinez, fam. Cupressaceae 0.5%
Ageratum conyzoides plant 1 (Fiji) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 1.25%