3,4-Dehydrobrevicomin

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  • Identifiers

    CAS number
    62255-25-8

    Molecular formula
    C9H14O2

    SMILES
    CCC1C2CC=CC(O2)(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 40.5%
    Woody 27.67%
    Herbal 27.59%
    Green 26.32%
    Sweet 25.42%
    Floral 25.0%
    Spicy 23.97%
    Nutty 22.87%
    Roasted 21.09%
    Creamy 21.0%

     

    Flavor
    Green 36.57%
    Caramel 28.16%
    Vegetable 27.13%
    Roasted 25.46%
    Minty 24.62%
    Nutty 23.89%
    Earthy 23.32%
    Bitter 23.3%
    Cauliflower 21.7%
    Herbal 21.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.3 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 64.1 ˚C est.

  • Synonyms

    • 3,4-Dehydrobrevicomin
    • 62255-25-8
    • RefChem:90985
    • 7-exo-ethyl-5-methyl-6,8-dioxabicyclo(3.2.1)-3-octene
    • 7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
    • 3,4-Dehydro-exo-brevicomin
    • 159912-77-3
    • exo-7-Ethyl-5-methyl-6,8-dioxabicyclo(3.2.1)oct-3-ene
    • 6,8-Dioxabicyclo[3.2.1]oct-3-ene, 7-ethyl-5-methyl-
    • 6,8-Dioxabicyclo(3.2.1)oct-3-ene, 7-ethyl-5-methyl-, exo-
    • SCHEMBL29404724
    • DTXSID00977829
    • CHEBI:233448
    • OTGRTVQRUOULGI-UHFFFAOYSA-N
    • DB-219976
    • 6-ethyl-1-methyl-7,8-dioxabicyclo[3.2.1]oct-2-ene
    • 7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene #
    • 7-Exo-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
    • 3,4-dehydro-exo-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
    • 62255-25-8

  • Applications

    3,4-Dehydrobrevicomin (CAS 62255-25-8) is used as a semiochemical in insect communication, primarily as an attractant in pheromone traps for monitoring and managing bark beetle populations in forestry and timber protection. It is employed in integrated pest management (IPM) programs and in research to study beetle behavior and aggregation. The compound is formulated into lure dispensers and combined with other pheromone components to improve trap efficacy. It can also serve as an intermediate or building block in the synthesis of related odorant blends and is evaluated for use in controlled-release formulations for field deployment.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 307.87
    methanol 505.35
    isopropanol 240.11
    water 10.21
    ethyl acetate 336.44
    n-propanol 285.74
    acetone 379.9
    n-butanol 282.3
    acetonitrile 394.76
    DMF 579.47
    toluene 260.49
    isobutanol 240.09
    1,4-dioxane 594.32
    methyl acetate 335.36
    THF 695.17
    2-butanone 342.39
    n-pentanol 222.64
    sec-butanol 251.72
    n-hexane 63.5
    ethylene glycol 184.25
    NMP 564.91
    cyclohexane 81.02
    DMSO 627.62
    n-butyl acetate 234.8
    n-octanol 218.43
    chloroform 1336.37
    n-propyl acetate 208.98
    acetic acid 313.84
    dichloromethane 1246.96
    cyclohexanone 521.91
    propylene glycol 178.72
    isopropyl acetate 260.66
    DMAc 535.53
    2-ethoxyethanol 399.84
    isopentanol 259.89
    n-heptane 45.76
    ethyl formate 224.1
    1,2-dichloroethane 602.02
    n-hexanol 272.82
    2-methoxyethanol 563.08
    isobutyl acetate 165.39
    tetrachloromethane 258.81
    n-pentyl acetate 215.45
    transcutol 934.0
    n-heptanol 164.1
    ethylbenzene 151.81
    MIBK 256.73
    2-propoxyethanol 498.45
    tert-butanol 277.84
    MTBE 284.84
    2-butoxyethanol 287.16
    propionic acid 279.51
    o-xylene 196.51
    formic acid 192.21
    diethyl ether 333.43
    m-xylene 219.77
    p-xylene 187.89
    chlorobenzene 400.63
    dimethyl carbonate 210.3
    n-octane 28.52
    formamide 205.07
    cyclopentanone 598.99
    2-pentanone 322.55
    anisole 321.8
    cyclopentyl methyl ether 400.28
    gamma-butyrolactone 686.75
    1-methoxy-2-propanol 462.54
    pyridine 434.98
    3-pentanone 288.96
    furfural 621.28
    n-dodecane 33.79
    diethylene glycol 417.85
    diisopropyl ether 149.76
    tert-amyl alcohol 257.64
    acetylacetone 437.9
    n-hexadecane 38.12
    acetophenone 293.42
    methyl propionate 308.38
    isopentyl acetate 222.87
    trichloroethylene 995.57
    n-nonanol 178.08
    cyclohexanol 277.78
    benzyl alcohol 239.81
    2-ethylhexanol 168.1
    isooctanol 140.74
    dipropyl ether 193.42
    1,2-dichlorobenzene 397.29
    ethyl lactate 166.04
    propylene carbonate 382.57
    n-methylformamide 328.26
    2-pentanol 214.49
    n-pentane 61.35
    1-propoxy-2-propanol 303.87
    1-methoxy-2-propyl acetate 303.98
    2-(2-methoxypropoxy) propanol 300.32
    mesitylene 159.19
    ε-caprolactone 453.23
    p-cymene 117.88
    epichlorohydrin 718.66
    1,1,1-trichloroethane 549.65
    2-aminoethanol 257.14
    morpholine-4-carbaldehyde 623.7
    sulfolane 759.62
    2,2,4-trimethylpentane 46.68
    2-methyltetrahydrofuran 476.38
    n-hexyl acetate 337.78
    isooctane 39.56
    2-(2-butoxyethoxy)ethanol 381.18
    sec-butyl acetate 179.85
    tert-butyl acetate 283.37
    decalin 69.14
    glycerin 296.62
    diglyme 640.11
    acrylic acid 282.48
    isopropyl myristate 156.97
    n-butyric acid 315.82
    acetyl acetate 290.03
    di(2-ethylhexyl) phthalate 154.44
    ethyl propionate 218.58
    nitromethane 522.77
    1,2-diethoxyethane 294.67
    benzonitrile 362.99
    trioctyl phosphate 115.35
    1-bromopropane 365.35
    gamma-valerolactone 667.53
    n-decanol 130.76
    triethyl phosphate 143.3
    4-methyl-2-pentanol 159.28
    propionitrile 306.68
    vinylene carbonate 381.48
    1,1,2-trichlorotrifluoroethane 498.43
    DMS 293.75
    cumene 134.51
    2-octanol 136.95
    2-hexanone 233.55
    octyl acetate 187.5
    limonene 145.93
    1,2-dimethoxyethane 531.7
    ethyl orthosilicate 132.59
    tributyl phosphate 138.26
    diacetone alcohol 280.44
    N,N-dimethylaniline 231.98
    acrylonitrile 387.15
    aniline 280.42
    1,3-propanediol 295.52
    bromobenzene 460.92
    dibromomethane 772.66
    1,1,2,2-tetrachloroethane 820.13
    2-methyl-cyclohexyl acetate 191.74
    tetrabutyl urea 170.52
    diisobutyl methanol 113.35
    2-phenylethanol 243.41
    styrene 180.17
    dioctyl adipate 200.44
    dimethyl sulfate 362.19
    ethyl butyrate 198.2
    methyl lactate 228.91
    butyl lactate 169.6
    diethyl carbonate 160.09
    propanediol butyl ether 281.55
    triethyl orthoformate 159.74
    p-tert-butyltoluene 117.4
    methyl 4-tert-butylbenzoate 278.15
    morpholine 520.73
    tert-butylamine 217.36
    n-dodecanol 103.98
    dimethoxymethane 489.53
    ethylene carbonate 314.33
    cyrene 256.44
    2-ethoxyethyl acetate 284.76
    2-ethylhexyl acetate 190.01
    1,2,4-trichlorobenzene 436.05
    4-methylpyridine 453.97
    dibutyl ether 205.52
    2,6-dimethyl-4-heptanol 113.35
    DEF 371.96
    dimethyl isosorbide 428.94
    tetrachloroethylene 551.14
    eugenol 281.01
    triacetin 329.98
    span 80 244.41
    1,4-butanediol 167.65
    1,1-dichloroethane 557.25
    2-methyl-1-pentanol 221.71
    methyl formate 272.96
    2-methyl-1-butanol 261.67
    n-decane 49.37
    butyronitrile 288.41
    3,7-dimethyl-1-octanol 185.76
    1-chlorooctane 168.1
    1-chlorotetradecane 80.0
    n-nonane 47.79
    undecane 39.49
    tert-butylcyclohexane 68.05
    cyclooctane 42.75
    cyclopentanol 294.27
    tetrahydropyran 425.56
    tert-amyl methyl ether 249.47
    2,5,8-trioxanonane 475.3
    1-hexene 151.18
    2-isopropoxyethanol 284.92
    2,2,2-trifluoroethanol 176.51
    methyl butyrate 261.88

    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