Butanal, 4-(octahydro-4,7-methano-5H-inden-5-ylidene)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    30168-23-1

    Molecular formula
    C14H20O

    SMILES
    C1CC2C(C1)C\3CC2C/C3=C\CCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 78.43%
    Aldehydic 58.2%
    Sweet 55.17%
    Fruity 52.38%
    Waxy 47.91%
    Fresh 47.14%
    Green 46.88%
    Muguet 40.96%
    Lily 36.06%
    Ozone 33.49%

     

    Flavor
    Sweet 30.8%
    Herbal 28.27%
    Fatty 27.92%
    Spice 26.9%
    Floral 25.76%
    Spicy 25.19%
    Green 24.46%
    Fresh 24.4%
    Oily 23.75%
    Fruity 22.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.08 (weak base)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 115.22 ˚C est.

  • Synonyms

    • 4-Tricyclodecylidene butanal
    • Butanal, 4-(octahydro-4,7-methano-5H-inden-5-ylidene)-
    • EINECS 250-078-7
    • 30168-23-1
    • 4-Tricyclo(5.2.1.0 decylidene-8)butanal
    • 4-(Tricyclo(5,2,1,02,6)decyliden-8)butanal
    • 4-(Octahydro-4,7-methano-5H-inden-5-ylidene)butanal
    • 4-(Hexahydro-1H-4,7-methanoinden-5(6H)-ylidene)butanal
    • (4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal
    • MFCD00169825
    • 4-(Tricyclo(5.2.1.02,6)dec-8-ylidene)butyraldehyde
    • WFEISWUNAJPLRX-ONNFQVAWSA-N
    • 4-(Octahydro-4,7-methano-5H-inden-5-ylidine)-butanal
    • Dupical

  • Applications

    Butanal, 4-(octahydro-4,7-methano-5H-inden-5-ylidene)- is a chemical primarily used as a fragrance/odorant intermediate in perfumery, where its bicyclic aldehyde structure contributes to specific scent profiles; it may also serve as a building block in organic synthesis for specialty fragrances and cosmetic formulations. In household products, it can function as a fragrance component in cleaners and air-freshening products, subject to regulatory requirements. In polymers/plastics and in coatings/inks, it can be employed as a reactive aldehyde intermediate to introduce fragrance notes or to participate in resin systems. In industrial manufacturing, it is evaluated as an intermediate for the synthesis of more complex fragrance compounds or related materials, with use being formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2259.32
    methanol 2902.21
    isopropanol 2190.71
    water 1.92
    ethyl acetate 4494.62
    n-propanol 2231.36
    acetone 5608.73
    n-butanol 1865.46
    acetonitrile 3751.87
    DMF 2786.94
    toluene 2370.51
    isobutanol 1409.62
    1,4-dioxane 6501.29
    methyl acetate 3029.02
    THF 6075.28
    2-butanone 3192.48
    n-pentanol 652.94
    sec-butanol 1016.69
    n-hexane 72.17
    ethylene glycol 450.06
    NMP 942.22
    cyclohexane 305.04
    DMSO 2713.0
    n-butyl acetate 1369.43
    n-octanol 180.75
    chloroform 7805.73
    n-propyl acetate 1434.8
    acetic acid 1447.66
    dichloromethane 6387.39
    cyclohexanone 3267.6
    propylene glycol 558.89
    isopropyl acetate 2827.74
    DMAc 1172.03
    2-ethoxyethanol 1579.95
    isopentanol 1614.11
    n-heptane 45.93
    ethyl formate 1712.02
    1,2-dichloroethane 3992.72
    n-hexanol 639.7
    2-methoxyethanol 3875.17
    isobutyl acetate 851.71
    tetrachloromethane 1008.03
    n-pentyl acetate 596.24
    transcutol 8109.66
    n-heptanol 225.68
    ethylbenzene 486.57
    MIBK 1682.04
    2-propoxyethanol 1813.24
    tert-butanol 2012.33
    MTBE 2622.37
    2-butoxyethanol 743.1
    propionic acid 1362.89
    o-xylene 717.92
    formic acid 543.51
    diethyl ether 4244.46
    m-xylene 1081.73
    p-xylene 552.54
    chlorobenzene 1939.95
    dimethyl carbonate 1190.33
    n-octane 17.53
    formamide 1182.94
    cyclopentanone 3405.0
    2-pentanone 3139.42
    anisole 1429.59
    cyclopentyl methyl ether 2414.41
    gamma-butyrolactone 3469.82
    1-methoxy-2-propanol 2820.36
    pyridine 4216.59
    3-pentanone 1968.01
    furfural 2533.4
    n-dodecane 15.08
    diethylene glycol 1525.08
    diisopropyl ether 916.64
    tert-amyl alcohol 808.86
    acetylacetone 3501.82
    n-hexadecane 18.79
    acetophenone 875.77
    methyl propionate 2434.58
    isopentyl acetate 1184.45
    trichloroethylene 6498.14
    n-nonanol 168.94
    cyclohexanol 1256.95
    benzyl alcohol 889.31
    2-ethylhexanol 305.53
    isooctanol 206.75
    dipropyl ether 714.42
    1,2-dichlorobenzene 1339.15
    ethyl lactate 432.71
    propylene carbonate 1604.0
    n-methylformamide 2304.8
    2-pentanol 1053.57
    n-pentane 128.13
    1-propoxy-2-propanol 1112.32
    1-methoxy-2-propyl acetate 1762.34
    2-(2-methoxypropoxy) propanol 699.07
    mesitylene 587.13
    ε-caprolactone 2255.93
    p-cymene 221.54
    epichlorohydrin 5093.57
    1,1,1-trichloroethane 3521.75
    2-aminoethanol 953.48
    morpholine-4-carbaldehyde 2201.46
    sulfolane 1937.72
    2,2,4-trimethylpentane 52.53
    2-methyltetrahydrofuran 3325.03
    n-hexyl acetate 759.92
    isooctane 70.6
    2-(2-butoxyethoxy)ethanol 1227.08
    sec-butyl acetate 986.85
    tert-butyl acetate 2086.51
    decalin 89.1
    glycerin 738.78
    diglyme 2790.15
    acrylic acid 1069.28
    isopropyl myristate 253.07
    n-butyric acid 2548.52
    acetyl acetate 2064.09
    di(2-ethylhexyl) phthalate 229.32
    ethyl propionate 1197.66
    nitromethane 3858.82
    1,2-diethoxyethane 2511.07
    benzonitrile 1500.74
    trioctyl phosphate 137.71
    1-bromopropane 2123.35
    gamma-valerolactone 4272.15
    n-decanol 122.22
    triethyl phosphate 291.82
    4-methyl-2-pentanol 596.01
    propionitrile 2777.49
    vinylene carbonate 1709.05
    1,1,2-trichlorotrifluoroethane 2119.79
    DMS 903.44
    cumene 274.79
    2-octanol 135.04
    2-hexanone 1085.88
    octyl acetate 280.86
    limonene 284.7
    1,2-dimethoxyethane 2857.49
    ethyl orthosilicate 299.19
    tributyl phosphate 220.98
    diacetone alcohol 1430.68
    N,N-dimethylaniline 540.39
    acrylonitrile 2917.2
    aniline 2322.94
    1,3-propanediol 1730.72
    bromobenzene 2214.59
    dibromomethane 3859.12
    1,1,2,2-tetrachloroethane 4458.17
    2-methyl-cyclohexyl acetate 462.96
    tetrabutyl urea 223.96
    diisobutyl methanol 261.07
    2-phenylethanol 732.9
    styrene 771.69
    dioctyl adipate 335.29
    dimethyl sulfate 896.48
    ethyl butyrate 917.01
    methyl lactate 794.92
    butyl lactate 439.52
    diethyl carbonate 558.94
    propanediol butyl ether 592.32
    triethyl orthoformate 567.15
    p-tert-butyltoluene 225.72
    methyl 4-tert-butylbenzoate 547.92
    morpholine 5948.17
    tert-butylamine 1201.72
    n-dodecanol 94.8
    dimethoxymethane 3757.49
    ethylene carbonate 1666.98
    cyrene 438.46
    2-ethoxyethyl acetate 1359.64
    2-ethylhexyl acetate 762.87
    1,2,4-trichlorobenzene 1459.92
    4-methylpyridine 3550.41
    dibutyl ether 512.11
    2,6-dimethyl-4-heptanol 261.07
    DEF 1851.44
    dimethyl isosorbide 1014.21
    tetrachloroethylene 2853.8
    eugenol 502.93
    triacetin 803.32
    span 80 459.97
    1,4-butanediol 423.53
    1,1-dichloroethane 4496.76
    2-methyl-1-pentanol 523.31
    methyl formate 1667.62
    2-methyl-1-butanol 1050.33
    n-decane 26.49
    butyronitrile 2476.69
    3,7-dimethyl-1-octanol 273.59
    1-chlorooctane 147.29
    1-chlorotetradecane 59.63
    n-nonane 24.52
    undecane 19.24
    tert-butylcyclohexane 70.44
    cyclooctane 92.56
    cyclopentanol 1209.01
    tetrahydropyran 5164.73
    tert-amyl methyl ether 990.79
    2,5,8-trioxanonane 1381.02
    1-hexene 342.4
    2-isopropoxyethanol 929.09
    2,2,2-trifluoroethanol 653.6
    methyl butyrate 1421.1

    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