Oxirane, 2,2-dimethyl-3-(3-methylene-4-penten-1-yl)-

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  • Identifiers

    CAS number
    29414-55-9

    Molecular formula
    C10H16O

    SMILES
    CC1(C(O1)CCC(=C)C=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 58.21%
    Herbal 57.34%
    Fresh 56.82%
    Citrus 53.99%
    Fruity 47.35%
    Green 43.6%
    Floral 42.52%
    Sweet 42.5%
    Spicy 39.78%
    Lavender 33.46%

     

    Flavor
    Woody 39.99%
    Floral 38.01%
    Wood 30.79%
    Spice 29.88%
    Herbal 29.6%
    Citrus 28.18%
    Fresh 27.59%
    Tropical 24.66%
    Spicy 23.65%
    Herb 22.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.24 (neutral)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 48.99 ˚C est.

  • Synonyms

    • Myrcene epoxide
    • Myrcene oxide
    • EINECS 249-612-1
    • Oxirane, 2,2-dimethyl-3-(3-methylene-4-pentenyl)-
    • Oxirane, 2,2-dimethyl-3-(3-methylene-4-penten-1-yl)-
    • DTXSID30865487
    • RefChem:857213
    • DTXCID50813889
    • Epoxymyrcene
    • 29414-55-9
    • 2,2-Dimethyl-3-(3-methylenepent-4-enyl)oxirane
    • 6,7-Epoxymyrcene
    • 2,2-dimethyl-3-(3-methylidenepent-4-enyl)oxirane
    • SCHEMBL906570
    • 2,2-DIMETHYL-3-(3-METHYLIDENEPENT-4-EN-1-YL)OXIRANE
    • 6,7-epoxy-7-methyl-3-methylene-1-octene
    • NS00049666
    • Q67879868
    • 29414-55-9

  • Applications

    Oxirane, 2,2-dimethyl-3-(3-methylene-4-penten-1-yl)- (CAS 29414-55-9) is an epoxide-containing compound that functions as a reactive intermediate in chemical synthesis. In polymers and epoxy resins, it can act as a monomer or crosslinking component to form networks with enhanced thermal and chemical resistance. In coatings, inks, and adhesives, it is commonly used to impart crosslinking capability and improve adhesion, hardness, and durability. In electronics, epoxy-type formulations incorporating this structure are explored for encapsulation and insulating materials. In pharmaceuticals, it may be used as an intermediate in organic synthesis workflows, given the reactive epoxide moiety and branched hydrocarbon framework. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 741.22
    methanol 598.15
    isopropanol 539.48
    water 1.34
    ethyl acetate 408.66
    n-propanol 506.56
    acetone 214.33
    n-butanol 528.27
    acetonitrile 290.27
    DMF 146.28
    toluene 233.76
    isobutanol 309.57
    1,4-dioxane 876.76
    methyl acetate 288.17
    THF 717.46
    2-butanone 277.82
    n-pentanol 353.35
    sec-butanol 453.64
    n-hexane 104.6
    ethylene glycol 102.22
    NMP 132.71
    cyclohexane 147.66
    DMSO 155.3
    n-butyl acetate 315.4
    n-octanol 187.76
    chloroform 862.43
    n-propyl acetate 204.41
    acetic acid 271.76
    dichloromethane 587.76
    cyclohexanone 257.49
    propylene glycol 200.68
    isopropyl acetate 258.89
    DMAc 232.04
    2-ethoxyethanol 428.18
    isopentanol 396.17
    n-heptane 91.02
    ethyl formate 171.86
    1,2-dichloroethane 294.01
    n-hexanol 464.31
    2-methoxyethanol 555.36
    isobutyl acetate 164.19
    tetrachloromethane 150.85
    n-pentyl acetate 159.93
    transcutol 1323.67
    n-heptanol 192.31
    ethylbenzene 144.66
    MIBK 177.56
    2-propoxyethanol 604.49
    tert-butanol 503.54
    MTBE 502.97
    2-butoxyethanol 291.56
    propionic acid 215.32
    o-xylene 140.0
    formic acid 105.43
    diethyl ether 634.26
    m-xylene 147.58
    p-xylene 162.19
    chlorobenzene 188.19
    dimethyl carbonate 72.38
    n-octane 29.78
    formamide 130.7
    cyclopentanone 186.8
    2-pentanone 248.38
    anisole 277.76
    cyclopentyl methyl ether 301.5
    gamma-butyrolactone 189.04
    1-methoxy-2-propanol 435.3
    pyridine 408.0
    3-pentanone 184.7
    furfural 232.58
    n-dodecane 24.05
    diethylene glycol 375.59
    diisopropyl ether 186.21
    tert-amyl alcohol 426.0
    acetylacetone 196.65
    n-hexadecane 26.69
    acetophenone 175.98
    methyl propionate 207.94
    isopentyl acetate 286.15
    trichloroethylene 446.38
    n-nonanol 177.28
    cyclohexanol 301.23
    benzyl alcohol 195.65
    2-ethylhexanol 239.58
    isooctanol 138.47
    dipropyl ether 345.35
    1,2-dichlorobenzene 165.24
    ethyl lactate 107.37
    propylene carbonate 156.56
    n-methylformamide 114.74
    2-pentanol 368.16
    n-pentane 116.12
    1-propoxy-2-propanol 437.88
    1-methoxy-2-propyl acetate 345.67
    2-(2-methoxypropoxy) propanol 290.14
    mesitylene 92.38
    ε-caprolactone 284.84
    p-cymene 102.49
    epichlorohydrin 373.22
    1,1,1-trichloroethane 303.26
    2-aminoethanol 251.95
    morpholine-4-carbaldehyde 319.73
    sulfolane 146.55
    2,2,4-trimethylpentane 51.53
    2-methyltetrahydrofuran 544.74
    n-hexyl acetate 255.75
    isooctane 41.93
    2-(2-butoxyethoxy)ethanol 434.08
    sec-butyl acetate 183.39
    tert-butyl acetate 245.52
    decalin 65.23
    glycerin 189.4
    diglyme 640.75
    acrylic acid 140.07
    isopropyl myristate 114.41
    n-butyric acid 333.98
    acetyl acetate 206.07
    di(2-ethylhexyl) phthalate 110.56
    ethyl propionate 193.4
    nitromethane 211.34
    1,2-diethoxyethane 533.77
    benzonitrile 192.28
    trioctyl phosphate 69.12
    1-bromopropane 323.87
    gamma-valerolactone 330.26
    n-decanol 128.79
    triethyl phosphate 107.22
    4-methyl-2-pentanol 217.79
    propionitrile 280.53
    vinylene carbonate 155.79
    1,1,2-trichlorotrifluoroethane 271.75
    DMS 176.71
    cumene 101.76
    2-octanol 114.2
    2-hexanone 205.83
    octyl acetate 135.64
    limonene 146.23
    1,2-dimethoxyethane 551.21
    ethyl orthosilicate 118.51
    tributyl phosphate 88.59
    diacetone alcohol 229.03
    N,N-dimethylaniline 173.72
    acrylonitrile 212.44
    aniline 249.16
    1,3-propanediol 344.78
    bromobenzene 199.66
    dibromomethane 465.03
    1,1,2,2-tetrachloroethane 402.5
    2-methyl-cyclohexyl acetate 197.6
    tetrabutyl urea 102.61
    diisobutyl methanol 141.68
    2-phenylethanol 264.26
    styrene 170.68
    dioctyl adipate 142.13
    dimethyl sulfate 66.51
    ethyl butyrate 236.37
    methyl lactate 111.98
    butyl lactate 128.85
    diethyl carbonate 170.11
    propanediol butyl ether 252.62
    triethyl orthoformate 205.42
    p-tert-butyltoluene 101.2
    methyl 4-tert-butylbenzoate 162.13
    morpholine 910.5
    tert-butylamine 404.0
    n-dodecanol 96.64
    dimethoxymethane 240.88
    ethylene carbonate 151.34
    cyrene 162.07
    2-ethoxyethyl acetate 254.02
    2-ethylhexyl acetate 237.16
    1,2,4-trichlorobenzene 190.99
    4-methylpyridine 331.18
    dibutyl ether 230.93
    2,6-dimethyl-4-heptanol 141.68
    DEF 224.04
    dimethyl isosorbide 354.47
    tetrachloroethylene 284.08
    eugenol 158.45
    triacetin 215.61
    span 80 244.63
    1,4-butanediol 142.19
    1,1-dichloroethane 350.75
    2-methyl-1-pentanol 280.77
    methyl formate 70.11
    2-methyl-1-butanol 333.74
    n-decane 41.0
    butyronitrile 334.85
    3,7-dimethyl-1-octanol 191.39
    1-chlorooctane 111.56
    1-chlorotetradecane 50.44
    n-nonane 39.49
    undecane 30.39
    tert-butylcyclohexane 62.9
    cyclooctane 56.44
    cyclopentanol 224.08
    tetrahydropyran 752.63
    tert-amyl methyl ether 342.59
    2,5,8-trioxanonane 434.18
    1-hexene 249.19
    2-isopropoxyethanol 330.11
    2,2,2-trifluoroethanol 75.77
    methyl butyrate 201.87

    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