5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68259-31-4

    Molecular formula
    C13H20O

    SMILES
    CC1=C2CC(C(C1)C(C2)C(C)C)C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 80.88%
    Aldehydic 56.01%
    Woody 49.01%
    Fresh 45.49%
    Citrus 41.51%
    Herbal 39.41%
    Fatty 37.33%
    Spicy 36.84%
    Ozone 36.11%
    Leafy 35.21%

     

    Flavor
    Herbal 69.0%
    Woody 48.6%
    Spice 48.28%
    Spicy 42.44%
    Herb 39.93%
    Green 35.84%
    Fresh 35.28%
    Wood 32.15%
    Mint 31.21%
    Minty 30.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.82 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 103.36 ˚C est.

  • Synonyms

    • 68259-31-4
    • 5(or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
    • 5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde
    • EINECS 269-522-6
    • 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde
    • Bicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 5(or 6)-methyl-7(or 8)-(1-methylethyl)-
    • Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 5(or 6)-methyl-7(or 8)-(1-methylethyl)-
    • DTXCID8030978
    • SCHEMBL16424574
    • BNAYNPKNDLTBTJ-UHFFFAOYSA-N
    • NS00012742
    • 269-522-6

  • Applications

    Chemical name: 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde; CAS number: 68259-31-4 is primarily used as a synthetic intermediate and fragrance-building block. In perfumery and cosmetics, it can serve as an aroma chemical precursor or fixative, contributing distinctive woody-resinous notes associated with bicyclic aldehydes. It may also find use in household products and personal care formulations where it contributes fragrance profiles in cleaners, detergents and air fresheners. In industrial manufacturing, it is evaluated as a specialized aldehyde building block for the synthesis of aroma compounds and other fine chemicals, leveraging its rigid bicyclic framework for novel scent profiles and downstream chemical transformations. In polymers/plastics, it can be used as a functional aldehyde building block for specialty polymers or resin systems. Use should be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.91
    methanol 76.16
    isopropanol 181.27
    water 0.52
    ethyl acetate 368.0
    n-propanol 175.75
    acetone 452.55
    n-butanol 161.85
    acetonitrile 389.71
    DMF 411.9
    toluene 354.42
    isobutanol 133.76
    1,4-dioxane 701.76
    methyl acetate 400.37
    THF 954.7
    2-butanone 445.21
    n-pentanol 65.2
    sec-butanol 114.88
    n-hexane 7.46
    ethylene glycol 27.07
    NMP 326.29
    cyclohexane 42.94
    DMSO 231.5
    n-butyl acetate 294.12
    n-octanol 62.11
    chloroform 1533.81
    n-propyl acetate 172.79
    acetic acid 159.32
    dichloromethane 1442.01
    cyclohexanone 643.12
    propylene glycol 40.99
    isopropyl acetate 199.89
    DMAc 259.46
    2-ethoxyethanol 106.4
    isopentanol 146.73
    n-heptane 14.34
    ethyl formate 268.77
    1,2-dichloroethane 691.56
    n-hexanol 148.74
    2-methoxyethanol 241.45
    isobutyl acetate 112.21
    tetrachloromethane 182.09
    n-pentyl acetate 141.47
    transcutol 502.27
    n-heptanol 72.47
    ethylbenzene 120.32
    MIBK 161.24
    2-propoxyethanol 248.31
    tert-butanol 189.58
    MTBE 165.98
    2-butoxyethanol 139.41
    propionic acid 163.6
    o-xylene 187.7
    formic acid 36.49
    diethyl ether 185.08
    m-xylene 212.06
    p-xylene 162.86
    chlorobenzene 431.42
    dimethyl carbonate 109.3
    n-octane 7.24
    formamide 84.06
    cyclopentanone 844.97
    2-pentanone 290.95
    anisole 210.48
    cyclopentyl methyl ether 267.67
    gamma-butyrolactone 811.06
    1-methoxy-2-propanol 211.3
    pyridine 744.57
    3-pentanone 216.5
    furfural 611.1
    n-dodecane 7.03
    diethylene glycol 150.9
    diisopropyl ether 58.19
    tert-amyl alcohol 106.14
    acetylacetone 349.74
    n-hexadecane 8.52
    acetophenone 196.48
    methyl propionate 252.87
    isopentyl acetate 238.51
    trichloroethylene 1386.64
    n-nonanol 58.07
    cyclohexanol 178.31
    benzyl alcohol 160.14
    2-ethylhexanol 92.62
    isooctanol 61.67
    dipropyl ether 114.33
    1,2-dichlorobenzene 340.64
    ethyl lactate 77.5
    propylene carbonate 415.87
    n-methylformamide 209.73
    2-pentanol 92.64
    n-pentane 12.31
    1-propoxy-2-propanol 191.55
    1-methoxy-2-propyl acetate 254.7
    2-(2-methoxypropoxy) propanol 141.13
    mesitylene 114.74
    ε-caprolactone 475.89
    p-cymene 95.06
    epichlorohydrin 890.9
    1,1,1-trichloroethane 672.51
    2-aminoethanol 61.97
    morpholine-4-carbaldehyde 406.99
    sulfolane 494.33
    2,2,4-trimethylpentane 8.62
    2-methyltetrahydrofuran 530.06
    n-hexyl acetate 183.25
    isooctane 8.94
    2-(2-butoxyethoxy)ethanol 186.16
    sec-butyl acetate 116.32
    tert-butyl acetate 180.96
    decalin 18.9
    glycerin 60.69
    diglyme 367.6
    acrylic acid 146.45
    isopropyl myristate 76.85
    n-butyric acid 271.54
    acetyl acetate 214.23
    di(2-ethylhexyl) phthalate 83.23
    ethyl propionate 147.97
    nitromethane 422.52
    1,2-diethoxyethane 204.91
    benzonitrile 328.46
    trioctyl phosphate 58.3
    1-bromopropane 310.73
    gamma-valerolactone 847.21
    n-decanol 45.01
    triethyl phosphate 78.17
    4-methyl-2-pentanol 65.87
    propionitrile 313.86
    vinylene carbonate 419.39
    1,1,2-trichlorotrifluoroethane 313.21
    DMS 185.8
    cumene 78.86
    2-octanol 47.38
    2-hexanone 154.12
    octyl acetate 91.79
    limonene 118.83
    1,2-dimethoxyethane 252.78
    ethyl orthosilicate 72.35
    tributyl phosphate 71.75
    diacetone alcohol 182.62
    N,N-dimethylaniline 117.71
    acrylonitrile 400.86
    aniline 299.09
    1,3-propanediol 132.64
    bromobenzene 453.16
    dibromomethane 814.25
    1,1,2,2-tetrachloroethane 829.77
    2-methyl-cyclohexyl acetate 142.41
    tetrabutyl urea 85.41
    diisobutyl methanol 66.46
    2-phenylethanol 204.21
    styrene 147.65
    dioctyl adipate 105.2
    dimethyl sulfate 139.96
    ethyl butyrate 176.45
    methyl lactate 105.77
    butyl lactate 108.9
    diethyl carbonate 122.97
    propanediol butyl ether 112.29
    triethyl orthoformate 107.82
    p-tert-butyltoluene 88.16
    methyl 4-tert-butylbenzoate 163.05
    morpholine 635.27
    tert-butylamine 115.83
    n-dodecanol 35.7
    dimethoxymethane 255.04
    ethylene carbonate 340.44
    cyrene 138.98
    2-ethoxyethyl acetate 217.78
    2-ethylhexyl acetate 182.74
    1,2,4-trichlorobenzene 386.2
    4-methylpyridine 624.64
    dibutyl ether 87.67
    2,6-dimethyl-4-heptanol 66.46
    DEF 236.67
    dimethyl isosorbide 299.46
    tetrachloroethylene 476.0
    eugenol 156.0
    triacetin 175.14
    span 80 126.13
    1,4-butanediol 35.8
    1,1-dichloroethane 739.11
    2-methyl-1-pentanol 69.8
    methyl formate 203.65
    2-methyl-1-butanol 116.43
    n-decane 11.38
    butyronitrile 311.84
    3,7-dimethyl-1-octanol 74.25
    1-chlorooctane 57.99
    1-chlorotetradecane 24.77
    n-nonane 9.67
    undecane 8.69
    tert-butylcyclohexane 15.9
    cyclooctane 13.29
    cyclopentanol 213.04
    tetrahydropyran 625.03
    tert-amyl methyl ether 93.13
    2,5,8-trioxanonane 238.46
    1-hexene 42.61
    2-isopropoxyethanol 91.02
    2,2,2-trifluoroethanol 81.99
    methyl butyrate 193.07

    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