2,5-Dimethyl-bicyclo[3.2.1]oct-2-ene

  • Identifiers

    Molecular formula
    C10H16

    SMILES
    CC1=CCC2(CCC1C2)C

  • Odor profile

    Fragrance
    Woody 73.8%
    Green 60.05%
    Spicy 47.94%
    Citrus 43.66%
    Dry 41.65%
    Sweet 41.32%
    Fresh 41.04%
    Terpenic 37.91%
    Herbal 37.1%
    Earthy 32.27%

     

    Flavor
    Wood 39.79%
    Woody 39.31%
    Dry 35.35%
    Sweet 34.34%
    Earthy 28.51%
    Spice 25.87%
    Camphor 24.86%
    Fir needle 24.22%
    Fresh 23.65%
    Pine 23.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.37 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 42.84 ˚C est.

  • Synonyms

    • PAEXSHAXVKIDGD-UHFFFAOYSA-N
    • 2,5-dimethyl-bicyclo[3.2.1]oct-2-ene
  • Applications

    Chemical name: 2,5-Dimethyl-bicyclo[3.2.1]oct-2-ene; CAS number: The compound is used as an intermediate in organic synthesis, providing a rigid hydrocarbon framework for diverse synthetic steps. It is also employed as a building block for specialty polymers and ROMP-derived materials, serving as a scaffold in polymer chemistry. In research contexts, it may be evaluated as a scaffold for medicinal and agrochemical lead discovery. In fragrance development, it may be studied as a potential odor intermediate in perfumery. In coatings and inks, it can be considered as a hydrocarbon additive to influence film properties and compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 491.07
    methanol 307.93
    isopropanol 555.13
    water 0.75
    ethyl acetate 1092.53
    n-propanol 570.82
    acetone 748.9
    n-butanol 613.92
    acetonitrile 593.0
    DMF 528.81
    toluene 765.17
    isobutanol 453.56
    1,4-dioxane 1330.06
    methyl acetate 853.66
    THF 1444.97
    2-butanone 861.18
    n-pentanol 359.39
    sec-butanol 513.48
    n-hexane 274.24
    ethylene glycol 79.21
    NMP 302.19
    cyclohexane 284.75
    DMSO 329.64
    n-butyl acetate 1076.63
    n-octanol 420.0
    chloroform 1437.6
    n-propyl acetate 483.59
    acetic acid 189.4
    dichloromethane 1043.19
    cyclohexanone 689.35
    propylene glycol 175.62
    isopropyl acetate 785.58
    DMAc 532.56
    2-ethoxyethanol 456.92
    isopentanol 580.46
    n-heptane 289.76
    ethyl formate 371.78
    1,2-dichloroethane 673.46
    n-hexanol 885.35
    2-methoxyethanol 648.51
    isobutyl acetate 422.24
    tetrachloromethane 372.96
    n-pentyl acetate 470.58
    transcutol 1917.92
    n-heptanol 401.35
    ethylbenzene 386.03
    MIBK 641.84
    2-propoxyethanol 1151.15
    tert-butanol 706.03
    MTBE 1083.04
    2-butoxyethanol 585.71
    propionic acid 314.29
    o-xylene 434.15
    formic acid 51.53
    diethyl ether 1184.26
    m-xylene 605.94
    p-xylene 436.9
    chlorobenzene 515.12
    dimethyl carbonate 294.66
    n-octane 124.06
    formamide 111.1
    cyclopentanone 747.17
    2-pentanone 786.51
    anisole 662.85
    cyclopentyl methyl ether 808.69
    gamma-butyrolactone 641.54
    1-methoxy-2-propanol 728.16
    pyridine 801.24
    3-pentanone 633.72
    furfural 506.01
    n-dodecane 98.38
    diethylene glycol 501.13
    diisopropyl ether 554.72
    tert-amyl alcohol 531.59
    acetylacetone 772.96
    n-hexadecane 110.9
    acetophenone 412.14
    methyl propionate 694.91
    isopentyl acetate 925.43
    trichloroethylene 1032.98
    n-nonanol 391.32
    cyclohexanol 393.62
    benzyl alcohol 330.06
    2-ethylhexanol 608.34
    isooctanol 344.35
    dipropyl ether 985.47
    1,2-dichlorobenzene 465.38
    ethyl lactate 212.78
    propylene carbonate 421.52
    n-methylformamide 281.79
    2-pentanol 522.18
    n-pentane 267.96
    1-propoxy-2-propanol 1008.2
    1-methoxy-2-propyl acetate 992.33
    2-(2-methoxypropoxy) propanol 622.81
    mesitylene 414.89
    ε-caprolactone 642.92
    p-cymene 346.53
    epichlorohydrin 837.29
    1,1,1-trichloroethane 890.26
    2-aminoethanol 204.22
    morpholine-4-carbaldehyde 598.87
    sulfolane 431.71
    2,2,4-trimethylpentane 131.94
    2-methyltetrahydrofuran 979.29
    n-hexyl acetate 746.46
    isooctane 166.23
    2-(2-butoxyethoxy)ethanol 811.62
    sec-butyl acetate 455.43
    tert-butyl acetate 804.53
    decalin 168.52
    glycerin 183.39
    diglyme 1282.2
    acrylic acid 200.5
    isopropyl myristate 376.99
    n-butyric acid 537.59
    acetyl acetate 575.1
    di(2-ethylhexyl) phthalate 240.07
    ethyl propionate 541.43
    nitromethane 439.72
    1,2-diethoxyethane 1139.95
    benzonitrile 425.58
    trioctyl phosphate 186.92
    1-bromopropane 762.88
    gamma-valerolactone 835.68
    n-decanol 321.05
    triethyl phosphate 260.57
    4-methyl-2-pentanol 442.09
    propionitrile 719.47
    vinylene carbonate 410.12
    1,1,2-trichlorotrifluoroethane 403.13
    DMS 499.05
    cumene 297.49
    2-octanol 288.07
    2-hexanone 515.34
    octyl acetate 413.71
    limonene 441.01
    1,2-dimethoxyethane 887.43
    ethyl orthosilicate 285.09
    tributyl phosphate 245.61
    diacetone alcohol 617.76
    N,N-dimethylaniline 408.89
    acrylonitrile 642.59
    aniline 519.65
    1,3-propanediol 320.34
    bromobenzene 644.85
    dibromomethane 772.04
    1,1,2,2-tetrachloroethane 851.23
    2-methyl-cyclohexyl acetate 434.52
    tetrabutyl urea 261.16
    diisobutyl methanol 403.79
    2-phenylethanol 556.04
    styrene 429.8
    dioctyl adipate 354.65
    dimethyl sulfate 260.89
    ethyl butyrate 696.92
    methyl lactate 262.18
    butyl lactate 317.45
    diethyl carbonate 423.94
    propanediol butyl ether 420.07
    triethyl orthoformate 489.59
    p-tert-butyltoluene 378.22
    methyl 4-tert-butylbenzoate 489.8
    morpholine 1173.02
    tert-butylamine 642.62
    n-dodecanol 264.38
    dimethoxymethane 781.4
    ethylene carbonate 406.77
    cyrene 256.86
    2-ethoxyethyl acetate 649.88
    2-ethylhexyl acetate 729.46
    1,2,4-trichlorobenzene 482.42
    4-methylpyridine 791.4
    dibutyl ether 717.19
    2,6-dimethyl-4-heptanol 403.79
    DEF 563.31
    dimethyl isosorbide 790.5
    tetrachloroethylene 545.27
    eugenol 412.71
    triacetin 515.73
    span 80 454.04
    1,4-butanediol 123.46
    1,1-dichloroethane 887.38
    2-methyl-1-pentanol 359.13
    methyl formate 222.98
    2-methyl-1-butanol 491.44
    n-decane 152.82
    butyronitrile 696.88
    3,7-dimethyl-1-octanol 510.84
    1-chlorooctane 373.93
    1-chlorotetradecane 186.68
    n-nonane 156.7
    undecane 118.83
    tert-butylcyclohexane 175.08
    cyclooctane 169.28
    cyclopentanol 346.6
    tetrahydropyran 1201.89
    tert-amyl methyl ether 674.22
    2,5,8-trioxanonane 851.02
    1-hexene 537.36
    2-isopropoxyethanol 423.02
    2,2,2-trifluoroethanol 100.52
    methyl butyrate 531.52

    Scent© AI

1 of 4
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