3-Methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

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  • Identifiers

    CAS number
    6465-95-8

    Molecular formula
    C9H12O

    SMILES
    CC1C2CC(C1C=O)C=C2

    Safety labels

  • Odor profile

    Fragrance
    Green 89.52%
    Woody 52.59%
    Aldehydic 51.65%
    Herbal 47.57%
    Fresh 42.7%
    Leafy 41.32%
    Fruity 39.07%
    Floral 35.96%
    Spicy 33.72%
    Cortex 28.67%

     

    Flavor
    Bitter 43.82%
    Spice 27.46%
    Herbal 24.55%
    Spicy 24.1%
    Sweet 23.43%
    Shrimp 21.0%
    Terpentine 20.99%
    Alkaline 20.74%
    Mint 20.73%
    Cinnamon 20.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.95 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    189°C

    Flash point

    • 69.1 ˚C est.

  • Synonyms

    • 3-METHYLBICYCLO[2.2.1]HEPT-5-ENE-2-CARBALDEHYDE
    • 6465-95-8
    • 3-Methylbicyclo(2.2.1)hept-5-ene-2-carbaldehyde
    • EINECS 229-282-5
    • SCHEMBL2138400
    • DTXSID40983267
    • 2-formyl-3-methylbicyclo[2.2.1]hept-5ene
    • NS00046053
    • 2-formyl-3-methylbicyclo[2.2.1]hept-5-ene
    • 2-formyl-3-methylbicyclo[2,2,1]hepta-5-ene
    • 6465-95-8

  • Applications

    3-Methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CAS 6465-95-8) is primarily used as a synthetic intermediate in organic synthesis and fragrance chemistry, where the norbornene aldehyde provides a chiral building block or odorant precursor for perfumery materials. It is commonly evaluated for use in cosmetics and personal care formulations as a fragrance ingredient or aroma intermediate. In addition, it can serve as a reactive aldehyde handle in the preparation of specialty chemicals and may be employed in polymers and materials science as a norbornene-derived building block for ROMP-based polymers or crosslinking chemistries. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 332.63
    methanol 334.94
    isopropanol 267.79
    water 8.18
    ethyl acetate 496.78
    n-propanol 283.3
    acetone 444.24
    n-butanol 227.98
    acetonitrile 486.5
    DMF 345.13
    toluene 226.86
    isobutanol 181.86
    1,4-dioxane 1004.86
    methyl acetate 445.19
    THF 705.3
    2-butanone 344.95
    n-pentanol 133.15
    sec-butanol 165.45
    n-hexane 22.36
    ethylene glycol 104.51
    NMP 269.56
    cyclohexane 54.58
    DMSO 336.43
    n-butyl acetate 257.37
    n-octanol 94.97
    chloroform 1294.39
    n-propyl acetate 209.79
    acetic acid 391.77
    dichloromethane 906.93
    cyclohexanone 399.71
    propylene glycol 109.33
    isopropyl acetate 264.73
    DMAc 199.42
    2-ethoxyethanol 272.77
    isopentanol 213.91
    n-heptane 22.39
    ethyl formate 254.06
    1,2-dichloroethane 569.71
    n-hexanol 221.5
    2-methoxyethanol 465.27
    isobutyl acetate 141.06
    tetrachloromethane 195.75
    n-pentyl acetate 137.46
    transcutol 1442.71
    n-heptanol 103.21
    ethylbenzene 101.32
    MIBK 204.11
    2-propoxyethanol 416.06
    tert-butanol 269.5
    MTBE 230.21
    2-butoxyethanol 226.35
    propionic acid 321.88
    o-xylene 128.68
    formic acid 206.64
    diethyl ether 347.09
    m-xylene 166.47
    p-xylene 142.95
    chlorobenzene 331.59
    dimethyl carbonate 167.38
    n-octane 11.56
    formamide 284.83
    cyclopentanone 431.9
    2-pentanone 265.39
    anisole 234.74
    cyclopentyl methyl ether 302.57
    gamma-butyrolactone 557.76
    1-methoxy-2-propanol 364.57
    pyridine 582.51
    3-pentanone 211.72
    furfural 481.13
    n-dodecane 10.57
    diethylene glycol 379.21
    diisopropyl ether 115.12
    tert-amyl alcohol 155.81
    acetylacetone 354.01
    n-hexadecane 12.05
    acetophenone 182.84
    methyl propionate 306.7
    isopentyl acetate 224.27
    trichloroethylene 1009.83
    n-nonanol 85.23
    cyclohexanol 201.36
    benzyl alcohol 166.15
    2-ethylhexanol 118.42
    isooctanol 88.48
    dipropyl ether 142.64
    1,2-dichlorobenzene 273.16
    ethyl lactate 114.63
    propylene carbonate 294.25
    n-methylformamide 302.71
    2-pentanol 156.96
    n-pentane 29.13
    1-propoxy-2-propanol 263.47
    1-methoxy-2-propyl acetate 301.33
    2-(2-methoxypropoxy) propanol 221.32
    mesitylene 108.49
    ε-caprolactone 360.95
    p-cymene 66.37
    epichlorohydrin 658.78
    1,1,1-trichloroethane 542.09
    2-aminoethanol 189.47
    morpholine-4-carbaldehyde 445.84
    sulfolane 389.95
    2,2,4-trimethylpentane 17.9
    2-methyltetrahydrofuran 435.38
    n-hexyl acetate 194.01
    isooctane 21.47
    2-(2-butoxyethoxy)ethanol 324.05
    sec-butyl acetate 149.97
    tert-butyl acetate 235.37
    decalin 26.93
    glycerin 176.94
    diglyme 591.65
    acrylic acid 285.06
    isopropyl myristate 78.2
    n-butyric acid 360.38
    acetyl acetate 290.64
    di(2-ethylhexyl) phthalate 80.62
    ethyl propionate 190.06
    nitromethane 686.32
    1,2-diethoxyethane 389.34
    benzonitrile 269.84
    trioctyl phosphate 55.03
    1-bromopropane 293.27
    gamma-valerolactone 596.47
    n-decanol 65.69
    triethyl phosphate 77.15
    4-methyl-2-pentanol 120.36
    propionitrile 310.56
    vinylene carbonate 337.3
    1,1,2-trichlorotrifluoroethane 388.34
    DMS 218.27
    cumene 77.17
    2-octanol 64.99
    2-hexanone 185.78
    octyl acetate 95.71
    limonene 83.41
    1,2-dimethoxyethane 403.73
    ethyl orthosilicate 76.86
    tributyl phosphate 72.05
    diacetone alcohol 236.17
    N,N-dimethylaniline 123.7
    acrylonitrile 397.39
    aniline 288.84
    1,3-propanediol 285.03
    bromobenzene 329.25
    dibromomethane 596.19
    1,1,2,2-tetrachloroethane 680.69
    2-methyl-cyclohexyl acetate 127.47
    tetrabutyl urea 77.73
    diisobutyl methanol 82.86
    2-phenylethanol 217.86
    styrene 124.38
    dioctyl adipate 104.42
    dimethyl sulfate 174.93
    ethyl butyrate 170.86
    methyl lactate 162.7
    butyl lactate 123.82
    diethyl carbonate 127.06
    propanediol butyl ether 182.05
    triethyl orthoformate 123.06
    p-tert-butyltoluene 63.13
    methyl 4-tert-butylbenzoate 155.73
    morpholine 748.35
    tert-butylamine 170.32
    n-dodecanol 51.74
    dimethoxymethane 332.99
    ethylene carbonate 286.93
    cyrene 153.37
    2-ethoxyethyl acetate 260.8
    2-ethylhexyl acetate 160.35
    1,2,4-trichlorobenzene 305.27
    4-methylpyridine 418.68
    dibutyl ether 116.28
    2,6-dimethyl-4-heptanol 82.86
    DEF 233.3
    dimethyl isosorbide 313.14
    tetrachloroethylene 483.62
    eugenol 168.12
    triacetin 208.21
    span 80 169.1
    1,4-butanediol 97.99
    1,1-dichloroethane 654.24
    2-methyl-1-pentanol 122.32
    methyl formate 251.38
    2-methyl-1-butanol 163.07
    n-decane 16.77
    butyronitrile 263.66
    3,7-dimethyl-1-octanol 102.78
    1-chlorooctane 65.85
    1-chlorotetradecane 29.69
    n-nonane 15.35
    undecane 12.94
    tert-butylcyclohexane 24.86
    cyclooctane 21.78
    cyclopentanol 211.32
    tetrahydropyran 591.47
    tert-amyl methyl ether 132.69
    2,5,8-trioxanonane 371.5
    1-hexene 77.48
    2-isopropoxyethanol 199.36
    2,2,2-trifluoroethanol 221.78
    methyl butyrate 205.37

    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