7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde

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  • Identifiers

    CAS number
    93904-56-4

    Molecular formula
    C13H20O

    SMILES
    CC1=CC2C(CC1CC2C(C)C)C=O

  • Odor profile

    Fragrance
    Green 90.62%
    Woody 58.83%
    Aldehydic 55.67%
    Herbal 52.67%
    Fresh 49.65%
    Spicy 45.15%
    Leafy 44.58%
    Citrus 39.26%
    Floral 35.48%
    Cortex 34.51%

     

    Flavor
    Herbal 60.19%
    Spice 47.06%
    Green 39.6%
    Herb 38.58%
    Woody 36.47%
    Fresh 34.92%
    Spicy 33.59%
    Minty 31.33%
    Mint 30.74%
    Wood 27.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.43 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 104.79 ˚C est.

  • Synonyms

    • 93904-56-4
    • EINECS 299-795-7
    • 7-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCT-5-ENE-2-CARBALDEHYDE
    • 7-Isopropyl-5-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehyde
    • SCHEMBL230955
    • LKERFQHZNFIXLI-UHFFFAOYSA-N
    • NS00062643

  • Applications

    7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde (CAS 93904-56-4) is typically used as a specialized organic synthesis intermediate and fragrance-related building block. It may serve as an odorant or fragrance precursor in perfumery and flavor formulations, and can be incorporated into cosmetics/personal care products as a fragrance ingredient, subject to applicable regulations. The aldehyde functionality offers a handle for further derivatization, making it a scaffold for constructing more complex bicyclic molecules in industrial manufacturing, supporting the synthesis of pharmaceutical or agrochemical intermediates. Additionally, it may find use as a reactive aldehyde building block in polymer, coating, or ink formulations, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.84
    methanol 57.18
    isopropanol 137.15
    water 0.48
    ethyl acetate 241.57
    n-propanol 131.41
    acetone 310.16
    n-butanol 126.88
    acetonitrile 224.2
    DMF 294.73
    toluene 258.45
    isobutanol 105.78
    1,4-dioxane 495.94
    methyl acetate 255.3
    THF 689.02
    2-butanone 301.29
    n-pentanol 52.85
    sec-butanol 91.42
    n-hexane 6.62
    ethylene glycol 21.65
    NMP 255.24
    cyclohexane 36.13
    DMSO 183.78
    n-butyl acetate 203.44
    n-octanol 52.29
    chloroform 1042.67
    n-propyl acetate 118.42
    acetic acid 113.07
    dichloromethane 966.11
    cyclohexanone 455.08
    propylene glycol 33.73
    isopropyl acetate 139.83
    DMAc 198.41
    2-ethoxyethanol 82.32
    isopentanol 114.85
    n-heptane 12.52
    ethyl formate 167.4
    1,2-dichloroethane 457.76
    n-hexanol 118.12
    2-methoxyethanol 170.55
    isobutyl acetate 82.34
    tetrachloromethane 131.63
    n-pentyl acetate 105.13
    transcutol 392.52
    n-heptanol 60.02
    ethylbenzene 90.21
    MIBK 120.03
    2-propoxyethanol 184.89
    tert-butanol 144.4
    MTBE 126.37
    2-butoxyethanol 107.62
    propionic acid 116.41
    o-xylene 142.61
    formic acid 26.13
    diethyl ether 134.46
    m-xylene 164.53
    p-xylene 118.96
    chlorobenzene 294.89
    dimethyl carbonate 78.76
    n-octane 6.53
    formamide 56.21
    cyclopentanone 586.41
    2-pentanone 210.85
    anisole 146.96
    cyclopentyl methyl ether 208.16
    gamma-butyrolactone 543.56
    1-methoxy-2-propanol 159.66
    pyridine 496.52
    3-pentanone 154.16
    furfural 402.41
    n-dodecane 6.54
    diethylene glycol 118.22
    diisopropyl ether 46.63
    tert-amyl alcohol 86.67
    acetylacetone 243.17
    n-hexadecane 7.88
    acetophenone 144.32
    methyl propionate 174.22
    isopentyl acetate 174.62
    trichloroethylene 921.25
    n-nonanol 49.73
    cyclohexanol 143.18
    benzyl alcohol 120.7
    2-ethylhexanol 75.65
    isooctanol 51.18
    dipropyl ether 86.65
    1,2-dichlorobenzene 241.84
    ethyl lactate 60.07
    propylene carbonate 282.7
    n-methylformamide 133.18
    2-pentanol 76.3
    n-pentane 11.14
    1-propoxy-2-propanol 147.16
    1-methoxy-2-propyl acetate 188.03
    2-(2-methoxypropoxy) propanol 115.78
    mesitylene 93.27
    ε-caprolactone 331.03
    p-cymene 75.74
    epichlorohydrin 599.28
    1,1,1-trichloroethane 456.88
    2-aminoethanol 48.49
    morpholine-4-carbaldehyde 299.38
    sulfolane 372.73
    2,2,4-trimethylpentane 8.27
    2-methyltetrahydrofuran 394.61
    n-hexyl acetate 139.56
    isooctane 8.45
    2-(2-butoxyethoxy)ethanol 151.12
    sec-butyl acetate 84.69
    tert-butyl acetate 132.57
    decalin 17.15
    glycerin 48.97
    diglyme 276.08
    acrylic acid 103.0
    isopropyl myristate 61.6
    n-butyric acid 190.43
    acetyl acetate 144.82
    di(2-ethylhexyl) phthalate 69.71
    ethyl propionate 102.06
    nitromethane 257.77
    1,2-diethoxyethane 149.19
    benzonitrile 229.19
    trioctyl phosphate 49.72
    1-bromopropane 228.29
    gamma-valerolactone 580.3
    n-decanol 39.19
    triethyl phosphate 61.38
    4-methyl-2-pentanol 55.57
    propionitrile 198.23
    vinylene carbonate 278.9
    1,1,2-trichlorotrifluoroethane 230.93
    DMS 139.41
    cumene 62.53
    2-octanol 39.78
    2-hexanone 111.18
    octyl acetate 74.24
    limonene 94.74
    1,2-dimethoxyethane 178.19
    ethyl orthosilicate 58.4
    tributyl phosphate 58.69
    diacetone alcohol 141.11
    N,N-dimethylaniline 90.78
    acrylonitrile 244.69
    aniline 215.45
    1,3-propanediol 98.05
    bromobenzene 317.38
    dibromomethane 557.1
    1,1,2,2-tetrachloroethane 563.16
    2-methyl-cyclohexyl acetate 111.7
    tetrabutyl urea 69.54
    diisobutyl methanol 56.13
    2-phenylethanol 152.35
    styrene 107.64
    dioctyl adipate 85.66
    dimethyl sulfate 107.05
    ethyl butyrate 125.81
    methyl lactate 80.89
    butyl lactate 86.95
    diethyl carbonate 87.4
    propanediol butyl ether 95.49
    triethyl orthoformate 79.88
    p-tert-butyltoluene 71.07
    methyl 4-tert-butylbenzoate 131.77
    morpholine 443.22
    tert-butylamine 90.13
    n-dodecanol 31.65
    dimethoxymethane 186.89
    ethylene carbonate 226.55
    cyrene 115.01
    2-ethoxyethyl acetate 162.7
    2-ethylhexyl acetate 134.89
    1,2,4-trichlorobenzene 278.99
    4-methylpyridine 420.83
    dibutyl ether 67.55
    2,6-dimethyl-4-heptanol 56.13
    DEF 170.51
    dimethyl isosorbide 236.63
    tetrachloroethylene 330.86
    eugenol 121.93
    triacetin 138.83
    span 80 106.08
    1,4-butanediol 29.07
    1,1-dichloroethane 497.05
    2-methyl-1-pentanol 59.03
    methyl formate 128.34
    2-methyl-1-butanol 94.66
    n-decane 10.27
    butyronitrile 206.6
    3,7-dimethyl-1-octanol 62.88
    1-chlorooctane 47.32
    1-chlorotetradecane 21.31
    n-nonane 8.72
    undecane 7.97
    tert-butylcyclohexane 14.52
    cyclooctane 12.06
    cyclopentanol 167.66
    tetrahydropyran 454.11
    tert-amyl methyl ether 75.93
    2,5,8-trioxanonane 187.8
    1-hexene 33.93
    2-isopropoxyethanol 71.66
    2,2,2-trifluoroethanol 59.65
    methyl butyrate 132.4

    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