3,4-Dimethylenebicyclo(4.2.0)octa-1,5-diene

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  • Identifiers

    CAS number
    136846-72-5

    Molecular formula
    C10H10

    SMILES
    C=C1C=C2CCC2=CC1=C

    Safety labels

  • Odor profile

    Fragrance
    Floral 42.67%
    Sweet 38.93%
    Phenolic 28.9%
    Orange 28.25%
    Neroli 27.65%
    Musty 27.16%
    Powdery 26.94%
    Animal 25.89%
    Woody 25.87%
    Fruity 25.55%

     

    Flavor
    Bitter 43.87%
    Very strong 21.62%
    Indole 21.44%
    Nitrile 21.3%
    Animal 21.18%
    Moth ball 20.32%
    Oriental 19.97%
    Naphthelene 19.86%
    Tarry 19.69%
    Rotten 19.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.29 (neutral)

    Molecular weight
    130.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    235°C

    Flash point

    • 61.32 ˚C est.

  • Synonyms

    • 3,4-Dimethylenebicyclo(4.2.0)octa-1,5-diene
    • 3,4-dimethylidenebicyclo[4.2.0]octa-1,5-diene
    • 136846-72-5
    • 3,4-Dimethylenebicyclo[4.2.0]octa-1,5-diene
    • DTXSID70159978
    • 136846-72-5

  • Applications

    3,4-Dimethylenebicyclo(4.2.0)octa-1,5-diene (CAS 136846-72-5) is primarily used as a reactive building block in organic synthesis and polymer chemistry, commonly employed as a diene monomer or crosslinking component in high-performance polymers, resins, and coatings. It serves as a synthetic intermediate for the preparation of bicyclic and polycyclic compounds via Diels–Alder-type chemistry and related cycloadditions. In specialty chemical production, it may function as a precursor to pharmaceutical and agrochemical intermediates, and as a laboratory reagent for research and development. Its use is typically controlled by formulation strategies and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.62
    methanol 81.75
    isopropanol 74.24
    water 0.27
    ethyl acetate 282.73
    n-propanol 93.56
    acetone 311.14
    n-butanol 94.21
    acetonitrile 209.58
    DMF 501.25
    toluene 212.15
    isobutanol 75.54
    1,4-dioxane 647.33
    methyl acetate 271.35
    THF 763.96
    2-butanone 285.77
    n-pentanol 87.13
    sec-butanol 76.45
    n-hexane 94.89
    ethylene glycol 18.6
    NMP 419.69
    cyclohexane 77.87
    DMSO 242.22
    n-butyl acetate 326.08
    n-octanol 95.34
    chloroform 620.55
    n-propyl acetate 216.68
    acetic acid 72.31
    dichloromethane 645.76
    cyclohexanone 441.84
    propylene glycol 23.92
    isopropyl acetate 204.48
    DMAc 331.94
    2-ethoxyethanol 136.57
    isopentanol 89.61
    n-heptane 80.79
    ethyl formate 158.57
    1,2-dichloroethane 480.53
    n-hexanol 167.03
    2-methoxyethanol 167.76
    isobutyl acetate 174.34
    tetrachloromethane 177.89
    n-pentyl acetate 183.2
    transcutol 376.05
    n-heptanol 95.32
    ethylbenzene 162.6
    MIBK 200.97
    2-propoxyethanol 251.3
    tert-butanol 108.86
    MTBE 222.53
    2-butoxyethanol 152.75
    propionic acid 91.4
    o-xylene 151.34
    formic acid 18.76
    diethyl ether 302.29
    m-xylene 166.43
    p-xylene 183.91
    chlorobenzene 251.83
    dimethyl carbonate 172.08
    n-octane 46.41
    formamide 45.9
    cyclopentanone 579.17
    2-pentanone 273.6
    anisole 272.25
    cyclopentyl methyl ether 374.64
    gamma-butyrolactone 543.35
    1-methoxy-2-propanol 157.41
    pyridine 367.08
    3-pentanone 262.87
    furfural 382.94
    n-dodecane 30.03
    diethylene glycol 131.35
    diisopropyl ether 133.59
    tert-amyl alcohol 100.3
    acetylacetone 303.98
    n-hexadecane 34.77
    acetophenone 219.29
    methyl propionate 250.72
    isopentyl acetate 262.05
    trichloroethylene 691.46
    n-nonanol 92.25
    cyclohexanol 108.97
    benzyl alcohol 127.01
    2-ethylhexanol 135.8
    isooctanol 85.29
    dipropyl ether 296.96
    1,2-dichlorobenzene 261.94
    ethyl lactate 87.25
    propylene carbonate 298.03
    n-methylformamide 159.67
    2-pentanol 82.6
    n-pentane 56.05
    1-propoxy-2-propanol 192.1
    1-methoxy-2-propyl acetate 267.55
    2-(2-methoxypropoxy) propanol 138.96
    mesitylene 126.79
    ε-caprolactone 342.08
    p-cymene 113.0
    epichlorohydrin 610.54
    1,1,1-trichloroethane 456.54
    2-aminoethanol 35.91
    morpholine-4-carbaldehyde 463.43
    sulfolane 504.86
    2,2,4-trimethylpentane 33.82
    2-methyltetrahydrofuran 466.7
    n-hexyl acetate 226.57
    isooctane 35.85
    2-(2-butoxyethoxy)ethanol 182.23
    sec-butyl acetate 172.08
    tert-butyl acetate 237.29
    decalin 68.68
    glycerin 39.61
    diglyme 402.02
    acrylic acid 76.97
    isopropyl myristate 121.06
    n-butyric acid 142.75
    acetyl acetate 194.02
    di(2-ethylhexyl) phthalate 84.56
    ethyl propionate 216.44
    nitromethane 222.57
    1,2-diethoxyethane 305.8
    benzonitrile 200.45
    trioctyl phosphate 70.8
    1-bromopropane 288.59
    gamma-valerolactone 570.94
    n-decanol 76.66
    triethyl phosphate 124.15
    4-methyl-2-pentanol 69.0
    propionitrile 193.1
    vinylene carbonate 280.49
    1,1,2-trichlorotrifluoroethane 236.15
    DMS 232.49
    cumene 122.61
    2-octanol 73.99
    2-hexanone 242.58
    octyl acetate 135.5
    limonene 148.49
    1,2-dimethoxyethane 400.69
    ethyl orthosilicate 120.27
    tributyl phosphate 90.66
    diacetone alcohol 182.02
    N,N-dimethylaniline 195.1
    acrylonitrile 221.0
    aniline 148.51
    1,3-propanediol 63.65
    bromobenzene 308.73
    dibromomethane 434.71
    1,1,2,2-tetrachloroethane 517.07
    2-methyl-cyclohexyl acetate 182.34
    tetrabutyl urea 122.31
    diisobutyl methanol 100.26
    2-phenylethanol 175.53
    styrene 178.25
    dioctyl adipate 135.35
    dimethyl sulfate 244.28
    ethyl butyrate 237.8
    methyl lactate 97.1
    butyl lactate 106.54
    diethyl carbonate 162.65
    propanediol butyl ether 92.86
    triethyl orthoformate 168.73
    p-tert-butyltoluene 116.2
    methyl 4-tert-butylbenzoate 186.65
    morpholine 485.05
    tert-butylamine 87.78
    n-dodecanol 64.86
    dimethoxymethane 371.25
    ethylene carbonate 255.31
    cyrene 149.02
    2-ethoxyethyl acetate 223.22
    2-ethylhexyl acetate 236.25
    1,2,4-trichlorobenzene 280.17
    4-methylpyridine 363.58
    dibutyl ether 212.38
    2,6-dimethyl-4-heptanol 100.26
    DEF 318.4
    dimethyl isosorbide 316.71
    tetrachloroethylene 361.87
    eugenol 158.24
    triacetin 175.76
    span 80 116.39
    1,4-butanediol 33.2
    1,1-dichloroethane 392.11
    2-methyl-1-pentanol 85.96
    methyl formate 148.73
    2-methyl-1-butanol 82.17
    n-decane 48.43
    butyronitrile 192.3
    3,7-dimethyl-1-octanol 100.01
    1-chlorooctane 126.8
    1-chlorotetradecane 63.27
    n-nonane 52.35
    undecane 36.94
    tert-butylcyclohexane 70.31
    cyclooctane 52.23
    cyclopentanol 129.43
    tetrahydropyran 455.78
    tert-amyl methyl ether 172.56
    2,5,8-trioxanonane 263.07
    1-hexene 189.2
    2-isopropoxyethanol 122.88
    2,2,2-trifluoroethanol 53.3
    methyl butyrate 253.03

    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