13-Oxabicyclo(10.1.0)trideca-4,8-diene, trimethyl-

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  • Identifiers

    CAS number
    71735-79-0

    Molecular formula
    C15H24O

    SMILES
    CC1(C/C=C\CC/C=C\CCC2C1(O2)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 73.66%
    Sweet 51.76%
    Amber 46.36%
    Dry 45.29%
    Herbal 44.88%
    Spicy 43.29%
    Musk 40.43%
    Citrus 37.04%
    Cedar 36.11%
    Powdery 35.13%

     

    Flavor
    Woody 39.89%
    Herbal 33.31%
    Spice 33.26%
    Wood 32.15%
    Green 29.92%
    Mint 28.4%
    Herb 27.41%
    Spicy 24.59%
    Camphor 23.9%
    Earthy 22.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.24 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 113.37 ˚C est.

  • Synonyms

    • 13-Oxabicyclo(10.1.0)trideca-4,8-diene, trimethyl-
    • 71735-79-0
    • (4Z,8Z)-1,2,2-TRIMETHYL-13-OXABICYCLO[10.1.0]TRIDECA-4,8-DIENE
    • EINECS 275-967-7
    • 13-Oxabicyclo[10.1.0]trideca-4,8-diene,trimethyl-
    • SCHEMBL1427829
    • SCHEMBL1427830
    • PUXIGTZUWRBNMW-RRMOSLQNSA-N
    • NS00013298
    • Trimethylcyclododeca-5,9-diene-1,2-epoxide

  • Applications

    13-Oxabicyclo(10.1.0)trideca-4,8-diene, trimethyl- (CAS 71735-79-0) is a bicyclic diene that functions mainly as an organic-synthesis intermediate and as a reactive monomer for specialty polymers and coatings/adhesives. In the polymers/plastics sector it can serve as a functional monomer for copolymerization to tailor mechanical properties and molecular architecture; in coatings and adhesives it is used as a reactive monomer or crosslinking component to improve chemical resistance and durability; it may also be encountered as an intermediate for the synthesis of organic compounds used in advanced materials and electronic applications, and can serve as a building block in pharmaceutical or agrochemical research contexts subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 235.34
    methanol 140.22
    isopropanol 228.41
    water 0.54
    ethyl acetate 393.45
    n-propanol 257.89
    acetone 302.0
    n-butanol 282.02
    acetonitrile 236.68
    DMF 252.16
    toluene 542.87
    isobutanol 250.39
    1,4-dioxane 681.73
    methyl acetate 328.44
    THF 867.86
    2-butanone 386.31
    n-pentanol 224.98
    sec-butanol 249.37
    n-hexane 150.67
    ethylene glycol 38.34
    NMP 317.7
    cyclohexane 288.7
    DMSO 202.83
    n-butyl acetate 430.42
    n-octanol 216.96
    chloroform 1184.35
    n-propyl acetate 328.08
    acetic acid 174.99
    dichloromethane 917.62
    cyclohexanone 578.68
    propylene glycol 72.14
    isopropyl acetate 359.21
    DMAc 352.27
    2-ethoxyethanol 262.16
    isopentanol 292.7
    n-heptane 142.13
    ethyl formate 206.11
    1,2-dichloroethane 518.26
    n-hexanol 328.26
    2-methoxyethanol 260.29
    isobutyl acetate 313.48
    tetrachloromethane 284.48
    n-pentyl acetate 327.87
    transcutol 876.47
    n-heptanol 224.85
    ethylbenzene 357.72
    MIBK 325.09
    2-propoxyethanol 380.29
    tert-butanol 285.27
    MTBE 430.44
    2-butoxyethanol 307.74
    propionic acid 174.91
    o-xylene 367.61
    formic acid 41.61
    diethyl ether 421.11
    m-xylene 400.88
    p-xylene 449.84
    chlorobenzene 498.37
    dimethyl carbonate 165.22
    n-octane 66.49
    formamide 76.41
    cyclopentanone 552.6
    2-pentanone 353.32
    anisole 454.21
    cyclopentyl methyl ether 491.02
    gamma-butyrolactone 490.91
    1-methoxy-2-propanol 259.76
    pyridine 603.14
    3-pentanone 342.17
    furfural 410.75
    n-dodecane 53.68
    diethylene glycol 219.75
    diisopropyl ether 241.98
    tert-amyl alcohol 283.54
    acetylacetone 380.56
    n-hexadecane 61.43
    acetophenone 376.27
    methyl propionate 295.7
    isopentyl acetate 469.3
    trichloroethylene 864.82
    n-nonanol 213.26
    cyclohexanol 326.03
    benzyl alcohol 280.45
    2-ethylhexanol 269.79
    isooctanol 209.15
    dipropyl ether 350.03
    1,2-dichlorobenzene 468.99
    ethyl lactate 157.87
    propylene carbonate 342.16
    n-methylformamide 119.48
    2-pentanol 247.84
    n-pentane 141.2
    1-propoxy-2-propanol 337.67
    1-methoxy-2-propyl acetate 427.27
    2-(2-methoxypropoxy) propanol 304.68
    mesitylene 296.51
    ε-caprolactone 499.44
    p-cymene 257.8
    epichlorohydrin 582.02
    1,1,1-trichloroethane 583.9
    2-aminoethanol 97.23
    morpholine-4-carbaldehyde 428.44
    sulfolane 432.22
    2,2,4-trimethylpentane 94.78
    2-methyltetrahydrofuran 649.35
    n-hexyl acetate 419.32
    isooctane 86.87
    2-(2-butoxyethoxy)ethanol 368.54
    sec-butyl acetate 310.31
    tert-butyl acetate 362.2
    decalin 159.47
    glycerin 83.66
    diglyme 592.86
    acrylic acid 140.7
    isopropyl myristate 214.63
    n-butyric acid 292.92
    acetyl acetate 312.45
    di(2-ethylhexyl) phthalate 179.47
    ethyl propionate 294.57
    nitromethane 229.86
    1,2-diethoxyethane 470.93
    benzonitrile 405.73
    trioctyl phosphate 144.77
    1-bromopropane 438.83
    gamma-valerolactone 579.88
    n-decanol 163.0
    triethyl phosphate 196.62
    4-methyl-2-pentanol 208.29
    propionitrile 308.75
    vinylene carbonate 358.81
    1,1,2-trichlorotrifluoroethane 335.11
    DMS 330.51
    cumene 266.22
    2-octanol 172.46
    2-hexanone 348.73
    octyl acetate 232.25
    limonene 301.78
    1,2-dimethoxyethane 489.89
    ethyl orthosilicate 204.03
    tributyl phosphate 168.0
    diacetone alcohol 278.45
    N,N-dimethylaniline 317.38
    acrylonitrile 276.61
    aniline 356.61
    1,3-propanediol 151.46
    bromobenzene 596.78
    dibromomethane 715.14
    1,1,2,2-tetrachloroethane 713.94
    2-methyl-cyclohexyl acetate 346.69
    tetrabutyl urea 190.88
    diisobutyl methanol 200.39
    2-phenylethanol 351.21
    styrene 382.53
    dioctyl adipate 241.03
    dimethyl sulfate 184.4
    ethyl butyrate 351.41
    methyl lactate 144.39
    butyl lactate 226.36
    diethyl carbonate 260.67
    propanediol butyl ether 236.04
    triethyl orthoformate 287.63
    p-tert-butyltoluene 245.52
    methyl 4-tert-butylbenzoate 315.04
    morpholine 609.97
    tert-butylamine 271.65
    n-dodecanol 132.34
    dimethoxymethane 307.07
    ethylene carbonate 328.4
    cyrene 259.39
    2-ethoxyethyl acetate 401.55
    2-ethylhexyl acetate 413.77
    1,2,4-trichlorobenzene 504.26
    4-methylpyridine 587.72
    dibutyl ether 301.51
    2,6-dimethyl-4-heptanol 200.39
    DEF 323.41
    dimethyl isosorbide 483.1
    tetrachloroethylene 518.95
    eugenol 274.95
    triacetin 383.92
    span 80 276.61
    1,4-butanediol 87.59
    1,1-dichloroethane 548.5
    2-methyl-1-pentanol 247.18
    methyl formate 103.79
    2-methyl-1-butanol 270.13
    n-decane 84.03
    butyronitrile 328.84
    3,7-dimethyl-1-octanol 241.86
    1-chlorooctane 217.25
    1-chlorotetradecane 107.51
    n-nonane 80.68
    undecane 64.65
    tert-butylcyclohexane 134.16
    cyclooctane 143.75
    cyclopentanol 302.18
    tetrahydropyran 712.77
    tert-amyl methyl ether 323.07
    2,5,8-trioxanonane 415.72
    1-hexene 291.78
    2-isopropoxyethanol 250.84
    2,2,2-trifluoroethanol 90.92
    methyl butyrate 337.45

    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