7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-

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  • Identifiers

    CAS number
    127750-98-5

    Molecular formula
    C8H6O3

    SMILES
    C=C1C2C(=O)C(=C)C(C1=O)O2

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 57.84%
    Burnt 55.39%
    Sweet 48.66%
    Odorless 29.03%
    Nutty 27.91%
    Roasted 25.98%
    Coffee 23.23%
    Sharp 22.71%
    Ethereal 22.1%
    Pungent 21.27%

     

    Flavor
    Bitter 80.92%
    Odorless 19.65%
    Fenugreek 19.31%
    Nitrile 18.95%
    Taco 18.39%
    Sweet-like 18.32%
    Bread crust 18.23%
    Extremely sweet 18.2%
    Seedy 18.18%
    Lovage 18.1%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.7 (weak acid)

    Molecular weight
    150.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    266°C

    Flash point

    • 108.2 ˚C est.

  • Synonyms

    • 127750-98-5
    • 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-
    • 7-Oxabicyclo[2.2.1]heptane-2,5-dione, 3,6-dimethylidene-
    • RefChem:311219
    • 3,6-dimethylidene-7-oxabicyclo[2.2.1]heptane-2,5-dione
    • DTXSID70925978
    • 127750-98-5

  • Applications

    Chemical name: 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-; CAS number: 127750-98-5 is used primarily as a reactive curing and crosslinking agent in epoxy and high-temperature thermoset resin systems, enabling improved thermal and mechanical performance in coatings, adhesives, and composites. It also acts as a rigid norbornene-like intermediate or crosslinking component in specialty polymers and resin architectures. The exocyclic methylene groups support participation in UV-curing and free-radical polymerization, making it suitable for UV-curable coatings and photoresist formulations in electronics manufacturing. Additionally, it serves as a synthetic building block for advanced polymer architectures and as a reactive intermediate for resin formulations used in coatings, inks, and sealants, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.0
    methanol 144.59
    isopropanol 61.92
    water 84.96
    ethyl acetate 88.91
    n-propanol 55.06
    acetone 212.83
    n-butanol 48.64
    acetonitrile 130.03
    DMF 339.12
    toluene 10.91
    isobutanol 40.83
    1,4-dioxane 146.21
    methyl acetate 130.11
    THF 127.93
    2-butanone 114.98
    n-pentanol 44.98
    sec-butanol 49.47
    n-hexane 2.68
    ethylene glycol 102.58
    NMP 145.46
    cyclohexane 2.07
    DMSO 275.68
    n-butyl acetate 48.34
    n-octanol 32.92
    chloroform 103.76
    n-propyl acetate 67.79
    acetic acid 115.26
    dichloromethane 127.95
    cyclohexanone 93.35
    propylene glycol 48.6
    isopropyl acetate 57.4
    DMAc 240.87
    2-ethoxyethanol 191.34
    isopentanol 44.78
    n-heptane 3.08
    ethyl formate 111.8
    1,2-dichloroethane 87.79
    n-hexanol 39.28
    2-methoxyethanol 274.29
    isobutyl acetate 35.64
    tetrachloromethane 25.71
    n-pentyl acetate 45.83
    transcutol 229.29
    n-heptanol 31.64
    ethylbenzene 15.2
    MIBK 59.17
    2-propoxyethanol 128.2
    tert-butanol 63.86
    MTBE 46.33
    2-butoxyethanol 93.85
    propionic acid 69.34
    o-xylene 17.63
    formic acid 185.91
    diethyl ether 50.93
    m-xylene 15.48
    p-xylene 24.55
    chlorobenzene 26.85
    dimethyl carbonate 80.88
    n-octane 2.77
    formamide 387.3
    cyclopentanone 136.6
    2-pentanone 85.21
    anisole 56.26
    cyclopentyl methyl ether 47.06
    gamma-butyrolactone 181.77
    1-methoxy-2-propanol 161.13
    pyridine 66.85
    3-pentanone 60.81
    furfural 205.94
    n-dodecane 2.82
    diethylene glycol 174.58
    diisopropyl ether 17.7
    tert-amyl alcohol 55.05
    acetylacetone 145.53
    n-hexadecane 3.14
    acetophenone 76.96
    methyl propionate 87.37
    isopentyl acetate 44.41
    trichloroethylene 164.59
    n-nonanol 31.43
    cyclohexanol 31.68
    benzyl alcohol 56.74
    2-ethylhexanol 24.51
    isooctanol 28.12
    dipropyl ether 23.67
    1,2-dichlorobenzene 37.78
    ethyl lactate 64.16
    propylene carbonate 95.67
    n-methylformamide 238.42
    2-pentanol 38.23
    n-pentane 2.62
    1-propoxy-2-propanol 76.58
    1-methoxy-2-propyl acetate 68.36
    2-(2-methoxypropoxy) propanol 82.05
    mesitylene 11.96
    ε-caprolactone 90.58
    p-cymene 14.34
    epichlorohydrin 196.6
    1,1,1-trichloroethane 68.2
    2-aminoethanol 92.59
    morpholine-4-carbaldehyde 238.32
    sulfolane 172.38
    2,2,4-trimethylpentane 2.69
    2-methyltetrahydrofuran 72.01
    n-hexyl acetate 59.81
    isooctane 2.32
    2-(2-butoxyethoxy)ethanol 104.84
    sec-butyl acetate 40.74
    tert-butyl acetate 58.75
    decalin 3.02
    glycerin 121.09
    diglyme 228.1
    acrylic acid 75.99
    isopropyl myristate 24.51
    n-butyric acid 71.25
    acetyl acetate 69.36
    di(2-ethylhexyl) phthalate 27.74
    ethyl propionate 59.22
    nitromethane 385.12
    1,2-diethoxyethane 64.79
    benzonitrile 58.22
    trioctyl phosphate 22.69
    1-bromopropane 25.77
    gamma-valerolactone 214.6
    n-decanol 24.27
    triethyl phosphate 29.92
    4-methyl-2-pentanol 28.66
    propionitrile 67.68
    vinylene carbonate 100.81
    1,1,2-trichlorotrifluoroethane 190.17
    DMS 71.78
    cumene 15.18
    2-octanol 26.57
    2-hexanone 64.93
    octyl acetate 32.45
    limonene 15.26
    1,2-dimethoxyethane 243.56
    ethyl orthosilicate 25.98
    tributyl phosphate 25.5
    diacetone alcohol 100.25
    N,N-dimethylaniline 44.32
    acrylonitrile 106.76
    aniline 29.23
    1,3-propanediol 125.71
    bromobenzene 22.37
    dibromomethane 58.86
    1,1,2,2-tetrachloroethane 112.89
    2-methyl-cyclohexyl acetate 35.94
    tetrabutyl urea 37.14
    diisobutyl methanol 19.29
    2-phenylethanol 51.87
    styrene 14.82
    dioctyl adipate 36.89
    dimethyl sulfate 138.53
    ethyl butyrate 43.14
    methyl lactate 86.13
    butyl lactate 46.46
    diethyl carbonate 33.26
    propanediol butyl ether 84.67
    triethyl orthoformate 30.9
    p-tert-butyltoluene 13.4
    methyl 4-tert-butylbenzoate 66.98
    morpholine 124.49
    tert-butylamine 32.13
    n-dodecanol 19.0
    dimethoxymethane 204.25
    ethylene carbonate 77.48
    cyrene 89.54
    2-ethoxyethyl acetate 77.35
    2-ethylhexyl acetate 32.27
    1,2,4-trichlorobenzene 43.11
    4-methylpyridine 66.71
    dibutyl ether 27.27
    2,6-dimethyl-4-heptanol 19.29
    DEF 118.42
    dimethyl isosorbide 112.16
    tetrachloroethylene 94.7
    eugenol 84.7
    triacetin 75.8
    span 80 50.42
    1,4-butanediol 75.75
    1,1-dichloroethane 63.83
    2-methyl-1-pentanol 42.08
    methyl formate 224.53
    2-methyl-1-butanol 41.04
    n-decane 4.38
    butyronitrile 58.06
    3,7-dimethyl-1-octanol 29.56
    1-chlorooctane 16.42
    1-chlorotetradecane 7.63
    n-nonane 3.88
    undecane 3.43
    tert-butylcyclohexane 3.46
    cyclooctane 1.36
    cyclopentanol 42.35
    tetrahydropyran 48.9
    tert-amyl methyl ether 39.0
    2,5,8-trioxanonane 143.58
    1-hexene 8.9
    2-isopropoxyethanol 117.42
    2,2,2-trifluoroethanol 147.9
    methyl butyrate 84.94

    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