4-Penten-1-one, 1-spiro[4.5]dec-6-en-7-yl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    224031-71-4

    Molecular formula
    C15H22O

    SMILES
    C=CCCC(=O)C1=CC2(CCCC2)CCC1

  • Odor profile

    Fragrance
    Fruity 94.23%
    Green 87.85%
    Pineapple 58.47%
    Tropical 47.06%
    Herbal 41.09%
    Sweet 40.26%
    Fresh 37.87%
    Floral 34.57%
    Jasmin 34.21%
    Metallic 33.56%

     

    Flavor
    Herbal 36.24%
    Spicy 25.72%
    Fatty 24.26%
    Spice 23.93%
    Oily 21.27%
    Outdoor 20.94%
    Basil 20.83%
    Lovage 20.62%
    Terpentine 20.25%
    Valerian 19.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.54 (neutral)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 124.55 ˚C est.

  • Synonyms

    • 4-Penten-1-one, 1-spiro[4.5]dec-6-en-7-yl-
    • 224031-71-4
    • 4-Penten-1-one, 1-spiro(4.5)dec-6-en-7-yl-
    • DTXSID40889139
    • SCHEMBL7776081
    • CFSRLACKBAWQFO-UHFFFAOYSA-N
    • DTXCID801028407
    • Spirogalbanone

  • Applications

    4-Penten-1-one, 1-spiro[4.5]dec-6-en-7-yl-, CAS 224031-71-4 is primarily used as an intermediate in organic synthesis, serving as a building block for fragrance-related compounds and other fine chemicals; it may be encountered as a precursor in cosmetic and personal care formulations due to its odor-active and enone reactivity; the spirocyclic enone can be used as a reactive platform for polymer and plastics development, including crosslinking or functionalization in specialty polymers; it is also evaluated for applications in coatings and inks, where controlled reactivity and volatility are relevant, with utilities typically defined by formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 441.74
    methanol 311.73
    isopropanol 469.87
    water 0.08
    ethyl acetate 860.57
    n-propanol 433.99
    acetone 712.25
    n-butanol 460.22
    acetonitrile 354.83
    DMF 805.66
    toluene 628.47
    isobutanol 348.83
    1,4-dioxane 1024.02
    methyl acetate 610.37
    THF 1386.42
    2-butanone 779.7
    n-pentanol 233.65
    sec-butanol 321.39
    n-hexane 37.38
    ethylene glycol 34.19
    NMP 437.36
    cyclohexane 110.58
    DMSO 374.08
    n-butyl acetate 667.27
    n-octanol 143.94
    chloroform 1631.44
    n-propyl acetate 450.32
    acetic acid 211.17
    dichloromethane 1294.08
    cyclohexanone 1010.94
    propylene glycol 83.5
    isopropyl acetate 693.82
    DMAc 649.66
    2-ethoxyethanol 295.07
    isopentanol 439.17
    n-heptane 30.4
    ethyl formate 369.82
    1,2-dichloroethane 864.43
    n-hexanol 370.14
    2-methoxyethanol 514.22
    isobutyl acetate 373.61
    tetrachloromethane 158.51
    n-pentyl acetate 310.18
    transcutol 1580.15
    n-heptanol 145.89
    ethylbenzene 266.9
    MIBK 501.76
    2-propoxyethanol 526.77
    tert-butanol 453.19
    MTBE 596.34
    2-butoxyethanol 294.77
    propionic acid 244.09
    o-xylene 286.57
    formic acid 41.16
    diethyl ether 697.49
    m-xylene 382.93
    p-xylene 300.18
    chlorobenzene 625.26
    dimethyl carbonate 234.76
    n-octane 17.26
    formamide 82.2
    cyclopentanone 1005.22
    2-pentanone 727.46
    anisole 470.4
    cyclopentyl methyl ether 582.89
    gamma-butyrolactone 835.91
    1-methoxy-2-propanol 560.54
    pyridine 993.14
    3-pentanone 517.0
    furfural 679.23
    n-dodecane 18.22
    diethylene glycol 269.44
    diisopropyl ether 226.98
    tert-amyl alcohol 300.42
    acetylacetone 733.4
    n-hexadecane 21.9
    acetophenone 417.7
    methyl propionate 540.31
    isopentyl acetate 634.74
    trichloroethylene 1566.52
    n-nonanol 139.82
    cyclohexanol 372.17
    benzyl alcohol 308.07
    2-ethylhexanol 224.83
    isooctanol 139.39
    dipropyl ether 273.69
    1,2-dichlorobenzene 513.59
    ethyl lactate 161.95
    propylene carbonate 579.09
    n-methylformamide 254.38
    2-pentanol 332.35
    n-pentane 44.34
    1-propoxy-2-propanol 425.73
    1-methoxy-2-propyl acetate 601.53
    2-(2-methoxypropoxy) propanol 320.18
    mesitylene 235.16
    ε-caprolactone 771.73
    p-cymene 146.02
    epichlorohydrin 1056.03
    1,1,1-trichloroethane 766.26
    2-aminoethanol 110.34
    morpholine-4-carbaldehyde 594.01
    sulfolane 598.71
    2,2,4-trimethylpentane 29.27
    2-methyltetrahydrofuran 851.53
    n-hexyl acetate 421.38
    isooctane 33.83
    2-(2-butoxyethoxy)ethanol 464.96
    sec-butyl acetate 393.05
    tert-butyl acetate 589.58
    decalin 58.67
    glycerin 116.3
    diglyme 812.71
    acrylic acid 169.0
    isopropyl myristate 185.87
    n-butyric acid 592.25
    acetyl acetate 469.65
    di(2-ethylhexyl) phthalate 153.16
    ethyl propionate 410.49
    nitromethane 409.67
    1,2-diethoxyethane 620.35
    benzonitrile 475.5
    trioctyl phosphate 106.21
    1-bromopropane 560.09
    gamma-valerolactone 1033.2
    n-decanol 106.54
    triethyl phosphate 150.78
    4-methyl-2-pentanol 234.55
    propionitrile 484.19
    vinylene carbonate 506.13
    1,1,2-trichlorotrifluoroethane 432.85
    DMS 362.48
    cumene 174.41
    2-octanol 113.25
    2-hexanone 409.06
    octyl acetate 205.09
    limonene 186.99
    1,2-dimethoxyethane 647.04
    ethyl orthosilicate 149.94
    tributyl phosphate 137.09
    diacetone alcohol 445.62
    N,N-dimethylaniline 269.38
    acrylonitrile 479.11
    aniline 467.14
    1,3-propanediol 246.26
    bromobenzene 697.65
    dibromomethane 847.09
    1,1,2,2-tetrachloroethane 1171.22
    2-methyl-cyclohexyl acetate 279.13
    tetrabutyl urea 164.27
    diisobutyl methanol 156.78
    2-phenylethanol 330.56
    styrene 344.76
    dioctyl adipate 233.03
    dimethyl sulfate 230.05
    ethyl butyrate 418.31
    methyl lactate 201.63
    butyl lactate 225.64
    diethyl carbonate 258.83
    propanediol butyl ether 247.64
    triethyl orthoformate 250.06
    p-tert-butyltoluene 142.22
    methyl 4-tert-butylbenzoate 324.0
    morpholine 1049.63
    tert-butylamine 283.91
    n-dodecanol 85.6
    dimethoxymethane 665.94
    ethylene carbonate 473.61
    cyrene 238.19
    2-ethoxyethyl acetate 438.53
    2-ethylhexyl acetate 450.65
    1,2,4-trichlorobenzene 553.43
    4-methylpyridine 934.43
    dibutyl ether 248.14
    2,6-dimethyl-4-heptanol 156.78
    DEF 577.26
    dimethyl isosorbide 500.56
    tetrachloroethylene 646.02
    eugenol 288.13
    triacetin 369.87
    span 80 263.55
    1,4-butanediol 77.31
    1,1-dichloroethane 908.38
    2-methyl-1-pentanol 246.13
    methyl formate 212.81
    2-methyl-1-butanol 343.33
    n-decane 29.34
    butyronitrile 559.64
    3,7-dimethyl-1-octanol 197.1
    1-chlorooctane 134.02
    1-chlorotetradecane 59.34
    n-nonane 25.79
    undecane 22.24
    tert-butylcyclohexane 50.69
    cyclooctane 37.26
    cyclopentanol 321.46
    tetrahydropyran 1098.26
    tert-amyl methyl ether 345.95
    2,5,8-trioxanonane 503.52
    1-hexene 192.97
    2-isopropoxyethanol 263.86
    2,2,2-trifluoroethanol 72.33
    methyl butyrate 534.68

    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