Spiro[5.5]undec-8-en-1-one, 2,2,7,9-tetramethyl-

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  • Identifiers

    CAS number
    502847-01-0

    Molecular formula
    C15H24O

    SMILES
    CC1C=C(CCC12CCCC(C2=O)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 75.04%
    Woody 61.98%
    Camphoreous 52.46%
    Fresh 52.0%
    Mint 51.8%
    Citrus 45.1%
    Spicy 43.95%
    Earthy 38.9%
    Tobacco 37.83%
    Green 37.4%

     

    Flavor
    Woody 43.32%
    Camphor 38.58%
    Herbal 35.23%
    Minty 34.5%
    Spicy 30.47%
    Earthy 29.96%
    Tobacco 28.64%
    Fresh 26.21%
    Dry 24.99%
    Musty 24.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.06 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    293°C

    Flash point

    • 116.72 ˚C est.

  • Synonyms

    • Spiro(5.5)undec-8-en-1-one, 2,2,7,9-tetramethyl-
    • DTXSID00889190
    • Spiro[5.5]undec-8-en-1-one, 2,2,7,9-tetramethyl-
    • RefChem:888814
    • DTXCID801028457
    • 689-286-1
    • 502847-01-0
    • 2,2,7,9-tetramethylspiro[5.5]undec-8-en-1-one
    • SCHEMBL5200075
    • IEODHCKRVCQYNH-UHFFFAOYSA-N
    • 502847-01-0

  • Applications

    Chemical name: Spiro[5.5]undec-8-en-1-one, 2,2,7,9-tetramethyl-, CAS 502847-01-0. In perfumery, it is used as a fragrance intermediate and can function as an odorant or a fixative in fragrance formulations. In cosmetics and personal care, it may be employed as a scent ingredient within creams, lotions, and shampoos. In household products, it can contribute lasting fragrance notes in air fresheners, cleaners, and detergents. In industrial manufacturing, it is evaluated as an aroma-chemical intermediate or precursor for scent-release applications and specialty polymers. In coatings and inks, it may serve as a fragrance additive to impart and stabilize odor profiles. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 565.6
    methanol 567.04
    isopropanol 662.36
    water 1.76
    ethyl acetate 1179.31
    n-propanol 696.29
    acetone 1354.6
    n-butanol 746.69
    acetonitrile 981.72
    DMF 1823.96
    toluene 1582.41
    isobutanol 668.24
    1,4-dioxane 1948.74
    methyl acetate 1001.18
    THF 2305.52
    2-butanone 1187.99
    n-pentanol 342.38
    sec-butanol 484.6
    n-hexane 155.12
    ethylene glycol 68.94
    NMP 1055.82
    cyclohexane 377.71
    DMSO 472.46
    n-butyl acetate 824.18
    n-octanol 301.09
    chloroform 3281.32
    n-propyl acetate 570.65
    acetic acid 568.41
    dichloromethane 2142.77
    cyclohexanone 2035.98
    propylene glycol 111.14
    isopropyl acetate 1038.03
    DMAc 1084.57
    2-ethoxyethanol 417.35
    isopentanol 755.97
    n-heptane 89.55
    ethyl formate 604.34
    1,2-dichloroethane 1513.97
    n-hexanol 625.4
    2-methoxyethanol 861.58
    isobutyl acetate 471.76
    tetrachloromethane 677.11
    n-pentyl acetate 629.66
    transcutol 1526.44
    n-heptanol 367.53
    ethylbenzene 619.03
    MIBK 879.6
    2-propoxyethanol 876.73
    tert-butanol 741.54
    MTBE 977.88
    2-butoxyethanol 585.24
    propionic acid 489.4
    o-xylene 832.22
    formic acid 158.43
    diethyl ether 1276.48
    m-xylene 1025.93
    p-xylene 732.6
    chlorobenzene 1347.63
    dimethyl carbonate 496.05
    n-octane 44.77
    formamide 279.58
    cyclopentanone 1888.42
    2-pentanone 1202.92
    anisole 839.66
    cyclopentyl methyl ether 1271.62
    gamma-butyrolactone 1715.53
    1-methoxy-2-propanol 771.65
    pyridine 1752.32
    3-pentanone 967.77
    furfural 1365.01
    n-dodecane 28.97
    diethylene glycol 408.24
    diisopropyl ether 490.2
    tert-amyl alcohol 558.24
    acetylacetone 1200.53
    n-hexadecane 35.97
    acetophenone 706.67
    methyl propionate 882.61
    isopentyl acetate 820.73
    trichloroethylene 2976.82
    n-nonanol 275.36
    cyclohexanol 887.83
    benzyl alcohol 539.12
    2-ethylhexanol 374.42
    isooctanol 316.19
    dipropyl ether 458.8
    1,2-dichlorobenzene 1108.63
    ethyl lactate 228.09
    propylene carbonate 929.49
    n-methylformamide 710.86
    2-pentanol 551.24
    n-pentane 180.31
    1-propoxy-2-propanol 613.63
    1-methoxy-2-propyl acetate 821.56
    2-(2-methoxypropoxy) propanol 391.37
    mesitylene 650.62
    ε-caprolactone 1413.8
    p-cymene 311.58
    epichlorohydrin 1905.12
    1,1,1-trichloroethane 1952.07
    2-aminoethanol 201.0
    morpholine-4-carbaldehyde 1400.27
    sulfolane 1182.0
    2,2,4-trimethylpentane 89.27
    2-methyltetrahydrofuran 1477.88
    n-hexyl acetate 848.66
    isooctane 88.53
    2-(2-butoxyethoxy)ethanol 578.55
    sec-butyl acetate 526.49
    tert-butyl acetate 998.03
    decalin 158.18
    glycerin 180.51
    diglyme 1241.57
    acrylic acid 419.61
    isopropyl myristate 274.03
    n-butyric acid 935.37
    acetyl acetate 824.83
    di(2-ethylhexyl) phthalate 236.31
    ethyl propionate 592.83
    nitromethane 1135.89
    1,2-diethoxyethane 708.29
    benzonitrile 931.57
    trioctyl phosphate 165.92
    1-bromopropane 1033.01
    gamma-valerolactone 2178.93
    n-decanol 178.53
    triethyl phosphate 231.6
    4-methyl-2-pentanol 398.33
    propionitrile 1091.95
    vinylene carbonate 969.53
    1,1,2-trichlorotrifluoroethane 945.2
    DMS 656.8
    cumene 394.9
    2-octanol 263.0
    2-hexanone 566.53
    octyl acetate 324.29
    limonene 380.36
    1,2-dimethoxyethane 1056.18
    ethyl orthosilicate 245.07
    tributyl phosphate 205.33
    diacetone alcohol 723.82
    N,N-dimethylaniline 526.19
    acrylonitrile 1109.69
    aniline 1072.92
    1,3-propanediol 437.35
    bromobenzene 1475.64
    dibromomethane 1397.29
    1,1,2,2-tetrachloroethane 2258.5
    2-methyl-cyclohexyl acetate 413.77
    tetrabutyl urea 244.89
    diisobutyl methanol 241.99
    2-phenylethanol 635.63
    styrene 690.68
    dioctyl adipate 300.63
    dimethyl sulfate 563.49
    ethyl butyrate 522.82
    methyl lactate 330.3
    butyl lactate 388.04
    diethyl carbonate 346.07
    propanediol butyl ether 388.99
    triethyl orthoformate 369.97
    p-tert-butyltoluene 323.89
    methyl 4-tert-butylbenzoate 580.18
    morpholine 1820.27
    tert-butylamine 578.09
    n-dodecanol 123.94
    dimethoxymethane 1209.34
    ethylene carbonate 893.17
    cyrene 369.4
    2-ethoxyethyl acetate 743.85
    2-ethylhexyl acetate 638.48
    1,2,4-trichlorobenzene 1152.32
    4-methylpyridine 1919.81
    dibutyl ether 385.43
    2,6-dimethyl-4-heptanol 241.99
    DEF 1085.42
    dimethyl isosorbide 729.8
    tetrachloroethylene 1598.3
    eugenol 488.98
    triacetin 555.49
    span 80 362.12
    1,4-butanediol 134.15
    1,1-dichloroethane 1882.58
    2-methyl-1-pentanol 379.47
    methyl formate 612.63
    2-methyl-1-butanol 686.59
    n-decane 58.8
    butyronitrile 1109.63
    3,7-dimethyl-1-octanol 310.83
    1-chlorooctane 264.62
    1-chlorotetradecane 89.77
    n-nonane 56.44
    undecane 39.21
    tert-butylcyclohexane 135.93
    cyclooctane 142.75
    cyclopentanol 728.42
    tetrahydropyran 1982.28
    tert-amyl methyl ether 664.62
    2,5,8-trioxanonane 640.66
    1-hexene 394.9
    2-isopropoxyethanol 355.05
    2,2,2-trifluoroethanol 287.49
    methyl butyrate 710.75

    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