Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 6-methyl-8-(1-methylethyl)-

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  • Identifiers

    CAS number
    67845-30-1

    Molecular formula
    C13H20O

    SMILES
    CC1=CC2CC(C1CC2C(C)C)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 91.37%
    Aldehydic 59.48%
    Woody 56.44%
    Fresh 51.33%
    Herbal 50.08%
    Leafy 45.9%
    Spicy 43.55%
    Citrus 38.98%
    Floral 37.82%
    Ozone 35.02%

     

    Flavor
    Herbal 63.37%
    Spice 50.24%
    Woody 41.78%
    Herb 39.45%
    Green 38.17%
    Spicy 36.63%
    Fresh 34.62%
    Mint 30.68%
    Wood 30.52%
    Minty 29.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.6 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 108.06 ˚C est.

  • Synonyms

    • 67845-30-1
    • Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 6-methyl-8-(1-methylethyl)-
    • 7-Formyl-5-isopropyl-2-methylbicyclo(2.2.2)oct-2-ene
    • EINECS 267-308-7
    • 6-methyl-8-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
    • DTXSID00867357
    • 8-isopropyl-6-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
    • 2-Methyl-5-(1-methylethyl)bicyclo(2.2.2)oct-2-ene-7-carboxaldehyde
    • Bicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 6-methyl-8-(1-methylethyl)-
    • 8-Isopropyl-6-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehyde
    • bark carbaldehyde
    • SCHEMBL229226
    • DTXCID90815549
    • OWFZJSXGDOTWSH-UHFFFAOYSA-N
    • NS00012745
    • Bicyclo2.2.2oct-5-ene-2-carboxaldehyde, 6-methyl-8-(1-methylethyl)-
    • 267-308-7

  • Applications

    CAS 67845-30-1, Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 6-methyl-8-(1-methylethyl)- is typically used as a fragrance intermediate or odorant component in perfumery, leveraging its rigid bicyclic framework and aldehyde functionality to contribute distinctive notes and enable downstream derivatization in scent formulations. In cosmetics and personal care, it may be evaluated as a specialty fragrance ingredient or fixative. In industrial manufacturing and organic synthesis, it serves as a versatile building block for the preparation of more complex compounds, including crosslinkable monomers for polymers via ROMP or related polymerization approaches, and can be employed in coatings or inks where reactive aldehyde functionality and the bicyclic motif influence film-forming and adhesion properties. The aldehyde group enables condensation and functionalization to generate intermediates for specialty polymers, resins, or advanced materials. Its use is subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.76
    methanol 256.32
    isopropanol 226.47
    water 0.42
    ethyl acetate 493.54
    n-propanol 278.83
    acetone 520.76
    n-butanol 251.36
    acetonitrile 463.37
    DMF 428.11
    toluene 613.67
    isobutanol 179.3
    1,4-dioxane 891.44
    methyl acetate 443.9
    THF 995.83
    2-butanone 517.58
    n-pentanol 106.32
    sec-butanol 148.2
    n-hexane 16.3
    ethylene glycol 39.02
    NMP 374.75
    cyclohexane 66.14
    DMSO 371.38
    n-butyl acetate 387.13
    n-octanol 64.58
    chloroform 1771.07
    n-propyl acetate 223.12
    acetic acid 220.43
    dichloromethane 1437.32
    cyclohexanone 761.48
    propylene glycol 50.68
    isopropyl acetate 249.95
    DMAc 243.01
    2-ethoxyethanol 169.05
    isopentanol 206.68
    n-heptane 12.95
    ethyl formate 318.65
    1,2-dichloroethane 872.28
    n-hexanol 207.03
    2-methoxyethanol 350.79
    isobutyl acetate 141.29
    tetrachloromethane 260.27
    n-pentyl acetate 174.4
    transcutol 1177.47
    n-heptanol 84.89
    ethylbenzene 171.32
    MIBK 200.42
    2-propoxyethanol 354.78
    tert-butanol 210.82
    MTBE 228.6
    2-butoxyethanol 182.62
    propionic acid 214.07
    o-xylene 249.46
    formic acid 79.87
    diethyl ether 358.49
    m-xylene 308.2
    p-xylene 196.22
    chlorobenzene 617.83
    dimethyl carbonate 138.95
    n-octane 4.75
    formamide 155.05
    cyclopentanone 811.41
    2-pentanone 392.92
    anisole 287.39
    cyclopentyl methyl ether 377.28
    gamma-butyrolactone 822.44
    1-methoxy-2-propanol 267.53
    pyridine 1055.38
    3-pentanone 290.89
    furfural 739.08
    n-dodecane 3.64
    diethylene glycol 201.99
    diisopropyl ether 84.58
    tert-amyl alcohol 128.87
    acetylacetone 392.69
    n-hexadecane 4.58
    acetophenone 242.31
    methyl propionate 339.11
    isopentyl acetate 310.16
    trichloroethylene 1646.47
    n-nonanol 57.48
    cyclohexanol 233.83
    benzyl alcohol 223.26
    2-ethylhexanol 117.45
    isooctanol 70.37
    dipropyl ether 136.75
    1,2-dichlorobenzene 462.87
    ethyl lactate 90.7
    propylene carbonate 390.63
    n-methylformamide 324.27
    2-pentanol 124.67
    n-pentane 23.43
    1-propoxy-2-propanol 250.47
    1-methoxy-2-propyl acetate 336.22
    2-(2-methoxypropoxy) propanol 172.67
    mesitylene 157.41
    ε-caprolactone 571.3
    p-cymene 98.08
    epichlorohydrin 1026.32
    1,1,1-trichloroethane 768.97
    2-aminoethanol 94.85
    morpholine-4-carbaldehyde 504.75
    sulfolane 559.51
    2,2,4-trimethylpentane 11.36
    2-methyltetrahydrofuran 652.15
    n-hexyl acetate 221.66
    isooctane 11.94
    2-(2-butoxyethoxy)ethanol 258.59
    sec-butyl acetate 149.24
    tert-butyl acetate 214.72
    decalin 24.03
    glycerin 76.34
    diglyme 544.31
    acrylic acid 188.03
    isopropyl myristate 66.6
    n-butyric acid 370.16
    acetyl acetate 257.76
    di(2-ethylhexyl) phthalate 83.1
    ethyl propionate 186.99
    nitromethane 480.34
    1,2-diethoxyethane 363.1
    benzonitrile 441.12
    trioctyl phosphate 53.91
    1-bromopropane 417.41
    gamma-valerolactone 944.36
    n-decanol 40.04
    triethyl phosphate 84.64
    4-methyl-2-pentanol 83.46
    propionitrile 404.51
    vinylene carbonate 410.57
    1,1,2-trichlorotrifluoroethane 432.67
    DMS 223.67
    cumene 96.9
    2-octanol 46.35
    2-hexanone 210.17
    octyl acetate 86.77
    limonene 111.46
    1,2-dimethoxyethane 360.14
    ethyl orthosilicate 86.2
    tributyl phosphate 71.72
    diacetone alcohol 209.43
    N,N-dimethylaniline 146.2
    acrylonitrile 480.68
    aniline 505.11
    1,3-propanediol 175.07
    bromobenzene 638.69
    dibromomethane 951.33
    1,1,2,2-tetrachloroethane 1048.94
    2-methyl-cyclohexyl acetate 143.1
    tetrabutyl urea 78.01
    diisobutyl methanol 70.77
    2-phenylethanol 260.6
    styrene 217.66
    dioctyl adipate 102.51
    dimethyl sulfate 165.11
    ethyl butyrate 209.95
    methyl lactate 123.22
    butyl lactate 140.81
    diethyl carbonate 132.27
    propanediol butyl ether 151.67
    triethyl orthoformate 135.59
    p-tert-butyltoluene 90.69
    methyl 4-tert-butylbenzoate 168.39
    morpholine 872.17
    tert-butylamine 135.43
    n-dodecanol 28.84
    dimethoxymethane 329.43
    ethylene carbonate 341.72
    cyrene 148.11
    2-ethoxyethyl acetate 305.56
    2-ethylhexyl acetate 239.97
    1,2,4-trichlorobenzene 518.32
    4-methylpyridine 863.83
    dibutyl ether 98.3
    2,6-dimethyl-4-heptanol 70.77
    DEF 303.74
    dimethyl isosorbide 326.35
    tetrachloroethylene 696.87
    eugenol 170.8
    triacetin 209.98
    span 80 143.44
    1,4-butanediol 46.42
    1,1-dichloroethane 846.4
    2-methyl-1-pentanol 107.12
    methyl formate 261.29
    2-methyl-1-butanol 159.15
    n-decane 7.02
    butyronitrile 390.28
    3,7-dimethyl-1-octanol 79.14
    1-chlorooctane 52.73
    1-chlorotetradecane 15.98
    n-nonane 6.44
    undecane 4.86
    tert-butylcyclohexane 19.64
    cyclooctane 20.68
    cyclopentanol 227.48
    tetrahydropyran 840.24
    tert-amyl methyl ether 127.55
    2,5,8-trioxanonane 304.34
    1-hexene 76.93
    2-isopropoxyethanol 124.36
    2,2,2-trifluoroethanol 98.57
    methyl butyrate 244.84

    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