3-Propylbicyclo(2.2.1)hept-5-ene-2-carbaldehyde

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  • Identifiers

    CAS number
    39067-39-5

    Molecular formula
    C11H16O

    SMILES
    CCCC1C2CC(C1C=O)C=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 91.34%
    Aldehydic 61.49%
    Fresh 43.55%
    Fruity 40.15%
    Herbal 39.93%
    Leafy 39.3%
    Floral 36.61%
    Citrus 33.16%
    Melon 32.62%
    Woody 32.61%

     

    Flavor
    Herbal 43.87%
    Spice 32.74%
    Green 31.04%
    Fresh 29.87%
    Fatty 27.69%
    Bitter 26.67%
    Spicy 26.52%
    Herb 24.94%
    Woody 24.3%
    Oily 23.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.01 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 94.39 ˚C est.

  • Synonyms

    • 39067-39-5
    • 3-Propylbicyclo(2.2.1)hept-5-ene-2-carbaldehyde
    • 3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
    • 3-Propylbicyclo(2.2.1)hept-5-ene-2-carboxaldehyde
    • Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde, 3-propyl-
    • Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-propyl-
    • Chrysanthal
    • DTXSID10865940
    • 3-Propylbicyclo[2.2.1]hept-5-ene-2-carboxaldehyde
    • EINECS 254-268-0
    • 2,5-Methylene-6-propyl-3-cyclohexenecarboxaldehyde
    • chrysanthemum carbaldehyde
    • SCHEMBL229143
    • DTXCID70814292
    • RPJGEHBYOXRURE-UHFFFAOYSA-N
    • NS00012090
    • Bicyclo2.2.1hept-5-ene-2-carboxaldehyde, 3-propyl-
    • 254-268-0

  • Applications

    3-Propylbicyclo(2.2.1)hept-5-ene-2-carbaldehyde (CAS 39067-39-5) is primarily viewed as an organic synthesis intermediate with potential applications across several fields. In fragrance and cosmetics, it may be used as an intermediate or odorant component; in coatings and inks, it can function as a fragrance carrier or release additive. In pharmaceutical and agrochemical R&D, it can serve as a precursor to more complex bicyclic compounds; in polymers and plastics, coatings and related processing, it may be considered as a building block for specialized monomers or as a reactive aldehyde in synthesis. Applications depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 830.51
    methanol 576.24
    isopropanol 981.28
    water 2.22
    ethyl acetate 783.34
    n-propanol 747.72
    acetone 1128.48
    n-butanol 690.03
    acetonitrile 1071.55
    DMF 1049.72
    toluene 589.53
    isobutanol 644.43
    1,4-dioxane 1364.83
    methyl acetate 773.72
    THF 1839.77
    2-butanone 904.39
    n-pentanol 320.8
    sec-butanol 584.88
    n-hexane 51.17
    ethylene glycol 151.05
    NMP 670.17
    cyclohexane 162.06
    DMSO 813.05
    n-butyl acetate 595.04
    n-octanol 203.67
    chloroform 2789.35
    n-propyl acetate 400.21
    acetic acid 525.62
    dichloromethane 2689.06
    cyclohexanone 1171.48
    propylene glycol 237.39
    isopropyl acetate 501.93
    DMAc 505.03
    2-ethoxyethanol 394.08
    isopentanol 579.49
    n-heptane 60.84
    ethyl formate 622.39
    1,2-dichloroethane 1363.81
    n-hexanol 527.31
    2-methoxyethanol 786.2
    isobutyl acetate 263.05
    tetrachloromethane 399.78
    n-pentyl acetate 272.72
    transcutol 1131.3
    n-heptanol 208.33
    ethylbenzene 236.69
    MIBK 462.37
    2-propoxyethanol 690.35
    tert-butanol 739.76
    MTBE 596.32
    2-butoxyethanol 337.03
    propionic acid 542.95
    o-xylene 296.45
    formic acid 143.23
    diethyl ether 656.84
    m-xylene 391.62
    p-xylene 292.0
    chlorobenzene 723.27
    dimethyl carbonate 272.75
    n-octane 28.66
    formamide 256.98
    cyclopentanone 1366.79
    2-pentanone 755.05
    anisole 421.07
    cyclopentyl methyl ether 698.55
    gamma-butyrolactone 1373.43
    1-methoxy-2-propanol 701.21
    pyridine 1226.98
    3-pentanone 466.56
    furfural 938.75
    n-dodecane 28.72
    diethylene glycol 475.83
    diisopropyl ether 216.75
    tert-amyl alcohol 418.87
    acetylacetone 721.76
    n-hexadecane 33.17
    acetophenone 368.26
    methyl propionate 565.53
    isopentyl acetate 500.99
    trichloroethylene 2281.01
    n-nonanol 166.85
    cyclohexanol 559.87
    benzyl alcohol 343.14
    2-ethylhexanol 252.53
    isooctanol 172.1
    dipropyl ether 302.46
    1,2-dichlorobenzene 575.64
    ethyl lactate 192.45
    propylene carbonate 811.59
    n-methylformamide 616.14
    2-pentanol 451.47
    n-pentane 87.08
    1-propoxy-2-propanol 502.25
    1-methoxy-2-propyl acetate 503.43
    2-(2-methoxypropoxy) propanol 294.91
    mesitylene 240.34
    ε-caprolactone 870.34
    p-cymene 165.28
    epichlorohydrin 1575.68
    1,1,1-trichloroethane 1231.62
    2-aminoethanol 301.09
    morpholine-4-carbaldehyde 768.14
    sulfolane 1062.62
    2,2,4-trimethylpentane 43.14
    2-methyltetrahydrofuran 1108.58
    n-hexyl acetate 390.15
    isooctane 51.18
    2-(2-butoxyethoxy)ethanol 414.99
    sec-butyl acetate 259.72
    tert-butyl acetate 437.55
    decalin 65.91
    glycerin 254.21
    diglyme 748.01
    acrylic acid 444.72
    isopropyl myristate 166.01
    n-butyric acid 827.33
    acetyl acetate 433.83
    di(2-ethylhexyl) phthalate 160.26
    ethyl propionate 333.12
    nitromethane 951.67
    1,2-diethoxyethane 443.08
    benzonitrile 624.18
    trioctyl phosphate 122.52
    1-bromopropane 882.43
    gamma-valerolactone 1296.32
    n-decanol 131.04
    triethyl phosphate 149.92
    4-methyl-2-pentanol 264.59
    propionitrile 834.19
    vinylene carbonate 734.94
    1,1,2-trichlorotrifluoroethane 665.76
    DMS 355.76
    cumene 166.75
    2-octanol 137.6
    2-hexanone 364.99
    octyl acetate 200.37
    limonene 218.17
    1,2-dimethoxyethane 690.17
    ethyl orthosilicate 139.83
    tributyl phosphate 142.05
    diacetone alcohol 430.42
    N,N-dimethylaniline 245.69
    acrylonitrile 946.57
    aniline 549.01
    1,3-propanediol 503.35
    bromobenzene 805.63
    dibromomethane 1815.47
    1,1,2,2-tetrachloroethane 1510.38
    2-methyl-cyclohexyl acetate 262.06
    tetrabutyl urea 167.12
    diisobutyl methanol 177.32
    2-phenylethanol 394.14
    styrene 296.08
    dioctyl adipate 218.47
    dimethyl sulfate 320.41
    ethyl butyrate 368.33
    methyl lactate 282.17
    butyl lactate 221.88
    diethyl carbonate 252.22
    propanediol butyl ether 309.12
    triethyl orthoformate 221.48
    p-tert-butyltoluene 160.07
    methyl 4-tert-butylbenzoate 319.62
    morpholine 1289.4
    tert-butylamine 463.55
    n-dodecanol 105.88
    dimethoxymethane 713.33
    ethylene carbonate 658.55
    cyrene 273.12
    2-ethoxyethyl acetate 367.14
    2-ethylhexyl acetate 349.15
    1,2,4-trichlorobenzene 628.84
    4-methylpyridine 1015.7
    dibutyl ether 234.53
    2,6-dimethyl-4-heptanol 177.32
    DEF 562.76
    dimethyl isosorbide 519.77
    tetrachloroethylene 943.26
    eugenol 300.07
    triacetin 329.53
    span 80 271.18
    1,4-butanediol 179.04
    1,1-dichloroethane 1601.64
    2-methyl-1-pentanol 280.32
    methyl formate 522.19
    2-methyl-1-butanol 473.64
    n-decane 42.04
    butyronitrile 902.08
    3,7-dimethyl-1-octanol 210.72
    1-chlorooctane 169.39
    1-chlorotetradecane 73.78
    n-nonane 41.13
    undecane 34.37
    tert-butylcyclohexane 57.11
    cyclooctane 54.76
    cyclopentanol 668.16
    tetrahydropyran 1284.94
    tert-amyl methyl ether 302.34
    2,5,8-trioxanonane 448.27
    1-hexene 187.05
    2-isopropoxyethanol 306.19
    2,2,2-trifluoroethanol 239.72
    methyl butyrate 463.92

    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