4-Isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67890-79-3

    Molecular formula
    C13H20O

    SMILES
    CC(C)C12CCC(C=C1)(C(C2)C=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 78.86%
    Woody 58.08%
    Aldehydic 51.88%
    Herbal 51.28%
    Fresh 46.6%
    Citrus 43.51%
    Spicy 40.53%
    Ozone 34.21%
    Leafy 32.77%
    Floral 31.97%

     

    Flavor
    Herbal 55.72%
    Woody 51.57%
    Green 46.39%
    Spice 45.33%
    Herb 37.41%
    Spicy 34.27%
    Fresh 33.64%
    Wood 32.55%
    Mint 30.18%
    Minty 28.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.85 (neutral)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    236°C

    Flash point

    • 116.67 ˚C est.

  • Synonyms

    • 67890-79-3
    • 4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
    • 4-Isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehyde
    • Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)-
    • Bicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)-
    • EINECS 267-559-2
    • SCHEMBL28158773
    • DTXSID70867384
    • LXYNULJSTVMWAJ-UHFFFAOYSA-N
    • 1-Isopropyl-4-methylbicyclo(2.2.2)-2-octene-5-carboxaldehyde
    • 1-Methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-2-ene-6-carboxaldehyde
    • 1-methyl-4-(propan-2-yl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
    • NS00012743
    • (1alpha,2alpha,4beta)-4-Isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehyde
    • (1alpha,2beta,4beta)-4-Isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehyde
    • 67890-79-3

  • Applications

    This bicyclic aldehyde is primarily used as a fragrance intermediate and odorant in perfumery and cosmetics, where its rigid bicyclo[2.2.2]oct-5-ene-2-carbaldehyde skeleton and formyl group contribute distinctive woody or spicy notes. It is also evaluated as a specialty chemical intermediate in industrial manufacturing, particularly for coatings/inks and polymer formulations, and can serve as a scent component in household products. As a synthetic building block, it is routinely explored for fragrance-chemistry applications across related sectors under appropriate regulatory controls. 4-Isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde (67890-79-3).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 83.21
    methanol 54.38
    isopropanol 82.63
    water 0.48
    ethyl acetate 207.9
    n-propanol 93.25
    acetone 212.84
    n-butanol 84.18
    acetonitrile 192.56
    DMF 330.73
    toluene 224.56
    isobutanol 67.4
    1,4-dioxane 448.05
    methyl acetate 225.81
    THF 604.33
    2-butanone 222.04
    n-pentanol 36.05
    sec-butanol 55.52
    n-hexane 5.22
    ethylene glycol 15.29
    NMP 255.18
    cyclohexane 31.17
    DMSO 140.94
    n-butyl acetate 173.6
    n-octanol 38.9
    chloroform 720.54
    n-propyl acetate 101.33
    acetic acid 66.2
    dichloromethane 614.95
    cyclohexanone 347.92
    propylene glycol 26.79
    isopropyl acetate 127.36
    DMAc 215.79
    2-ethoxyethanol 59.68
    isopentanol 70.32
    n-heptane 10.54
    ethyl formate 133.48
    1,2-dichloroethane 334.78
    n-hexanol 101.08
    2-methoxyethanol 144.9
    isobutyl acetate 72.45
    tetrachloromethane 91.55
    n-pentyl acetate 83.25
    transcutol 352.09
    n-heptanol 45.64
    ethylbenzene 76.88
    MIBK 101.8
    2-propoxyethanol 172.69
    tert-butanol 95.51
    MTBE 93.89
    2-butoxyethanol 88.3
    propionic acid 85.0
    o-xylene 125.15
    formic acid 22.94
    diethyl ether 102.4
    m-xylene 148.42
    p-xylene 116.97
    chlorobenzene 254.66
    dimethyl carbonate 93.43
    n-octane 4.86
    formamide 60.24
    cyclopentanone 486.11
    2-pentanone 164.69
    anisole 144.78
    cyclopentyl methyl ether 185.66
    gamma-butyrolactone 477.03
    1-methoxy-2-propanol 131.09
    pyridine 407.43
    3-pentanone 135.53
    furfural 348.58
    n-dodecane 4.59
    diethylene glycol 96.35
    diisopropyl ether 39.49
    tert-amyl alcohol 56.77
    acetylacetone 206.3
    n-hexadecane 5.59
    acetophenone 132.85
    methyl propionate 178.51
    isopentyl acetate 149.56
    trichloroethylene 646.04
    n-nonanol 39.07
    cyclohexanol 90.68
    benzyl alcohol 91.48
    2-ethylhexanol 63.88
    isooctanol 39.82
    dipropyl ether 79.36
    1,2-dichlorobenzene 224.37
    ethyl lactate 51.24
    propylene carbonate 240.24
    n-methylformamide 149.94
    2-pentanol 48.37
    n-pentane 8.31
    1-propoxy-2-propanol 136.04
    1-methoxy-2-propyl acetate 197.14
    2-(2-methoxypropoxy) propanol 101.2
    mesitylene 84.38
    ε-caprolactone 262.72
    p-cymene 67.26
    epichlorohydrin 512.57
    1,1,1-trichloroethane 326.97
    2-aminoethanol 37.86
    morpholine-4-carbaldehyde 303.67
    sulfolane 308.43
    2,2,4-trimethylpentane 5.97
    2-methyltetrahydrofuran 303.23
    n-hexyl acetate 111.6
    isooctane 6.57
    2-(2-butoxyethoxy)ethanol 130.75
    sec-butyl acetate 77.89
    tert-butyl acetate 130.03
    decalin 15.22
    glycerin 37.11
    diglyme 251.44
    acrylic acid 72.82
    isopropyl myristate 50.31
    n-butyric acid 127.14
    acetyl acetate 138.14
    di(2-ethylhexyl) phthalate 55.05
    ethyl propionate 105.88
    nitromethane 209.13
    1,2-diethoxyethane 137.56
    benzonitrile 193.71
    trioctyl phosphate 39.36
    1-bromopropane 158.49
    gamma-valerolactone 483.58
    n-decanol 30.73
    triethyl phosphate 60.58
    4-methyl-2-pentanol 38.52
    propionitrile 184.71
    vinylene carbonate 247.63
    1,1,2-trichlorotrifluoroethane 164.29
    DMS 134.33
    cumene 55.04
    2-octanol 28.66
    2-hexanone 89.97
    octyl acetate 60.4
    limonene 83.03
    1,2-dimethoxyethane 157.97
    ethyl orthosilicate 56.75
    tributyl phosphate 50.25
    diacetone alcohol 123.11
    N,N-dimethylaniline 88.11
    acrylonitrile 228.43
    aniline 178.4
    1,3-propanediol 69.76
    bromobenzene 289.54
    dibromomethane 346.42
    1,1,2,2-tetrachloroethane 421.86
    2-methyl-cyclohexyl acetate 104.38
    tetrabutyl urea 58.86
    diisobutyl methanol 45.17
    2-phenylethanol 135.24
    styrene 95.42
    dioctyl adipate 71.87
    dimethyl sulfate 114.58
    ethyl butyrate 118.2
    methyl lactate 76.04
    butyl lactate 72.01
    diethyl carbonate 90.95
    propanediol butyl ether 73.29
    triethyl orthoformate 82.36
    p-tert-butyltoluene 65.85
    methyl 4-tert-butylbenzoate 117.51
    morpholine 414.02
    tert-butylamine 63.3
    n-dodecanol 24.27
    dimethoxymethane 210.18
    ethylene carbonate 199.65
    cyrene 103.65
    2-ethoxyethyl acetate 137.07
    2-ethylhexyl acetate 119.81
    1,2,4-trichlorobenzene 244.27
    4-methylpyridine 353.99
    dibutyl ether 51.7
    2,6-dimethyl-4-heptanol 45.17
    DEF 162.47
    dimethyl isosorbide 242.37
    tetrachloroethylene 243.19
    eugenol 105.59
    triacetin 121.79
    span 80 85.97
    1,4-butanediol 18.07
    1,1-dichloroethane 342.77
    2-methyl-1-pentanol 37.75
    methyl formate 128.3
    2-methyl-1-butanol 56.57
    n-decane 7.36
    butyronitrile 172.54
    3,7-dimethyl-1-octanol 47.25
    1-chlorooctane 34.86
    1-chlorotetradecane 15.99
    n-nonane 6.06
    undecane 5.69
    tert-butylcyclohexane 12.5
    cyclooctane 10.16
    cyclopentanol 108.91
    tetrahydropyran 347.58
    tert-amyl methyl ether 59.88
    2,5,8-trioxanonane 164.57
    1-hexene 24.51
    2-isopropoxyethanol 51.06
    2,2,2-trifluoroethanol 44.27
    methyl butyrate 123.4

    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