7,9-Dimethylspiro(5.5)undecan-3-one

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  • Identifiers

    CAS number
    83863-64-3

    Molecular formula
    C13H22O

    SMILES
    CC1CCC2(CCC(=O)CC2)C(C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 70.77%
    Floral 46.32%
    Fresh 44.4%
    Animal 41.41%
    Musk 41.16%
    Dry 40.62%
    Amber 39.97%
    Mint 37.7%
    Natural 37.11%
    Herbal 36.58%

     

    Flavor
    Minty 36.26%
    Fruity 32.67%
    Camphor 29.17%
    Musty 23.83%
    Camphoraceous 22.54%
    Beet 22.22%
    Soil 22.06%
    Mint 22.0%
    Woody 21.89%
    Earthy 21.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.28 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    282°C

    Flash point

    • 105.24 ˚C est.

  • Synonyms

    • 7,9-dimethylspiro[5.5]undecan-3-one
    • EINECS 281-129-1
    • 7,9-Dimethylspiro(5.5)undecan-3-one
    • Spiro(5.5)undecan-3-one, 7,9-dimethyl-
    • Spiro[5.5]undecan-3-one, 7,9-dimethyl-
    • DTXSID40868762
    • RefChem:544902
    • DTXCID80816843
    • 281-129-1
    • 83863-64-3
    • 9,11-dimethylspiro[5.5]undecan-3-one
    • SCHEMBL1396700
    • XZZRGHSODLRWGO-UHFFFAOYSA-N
    • NS00062463
    • 83863-64-3

  • Applications

    7,9-Dimethylspiro(5.5)undecan-3-one, CAS 83863-64-3, is primarily used as an odorant and a fixative in perfumery, helping to extend fragrance longevity. It is also employed as an intermediate in fragrance chemistry for developing related fragrance ketones. In cosmetics and personal care products, as well as in household products, it serves as a fragrance additive. It may be used in industrial manufacturing for fragrance formulations and in coatings/inks as an aroma component. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1706.78
    methanol 1242.63
    isopropanol 1511.45
    water 0.49
    ethyl acetate 4057.18
    n-propanol 1583.57
    acetone 4279.88
    n-butanol 1257.49
    acetonitrile 3049.04
    DMF 2812.69
    toluene 1889.91
    isobutanol 929.78
    1,4-dioxane 4957.99
    methyl acetate 2920.75
    THF 6105.62
    2-butanone 3172.74
    n-pentanol 344.52
    sec-butanol 651.9
    n-hexane 43.73
    ethylene glycol 133.22
    NMP 1188.83
    cyclohexane 236.84
    DMSO 1516.03
    n-butyl acetate 1789.02
    n-octanol 204.0
    chloroform 5311.81
    n-propyl acetate 1046.54
    acetic acid 678.81
    dichloromethane 5268.98
    cyclohexanone 3087.41
    propylene glycol 218.69
    isopropyl acetate 2112.6
    DMAc 1264.24
    2-ethoxyethanol 650.12
    isopentanol 890.82
    n-heptane 51.24
    ethyl formate 1611.63
    1,2-dichloroethane 3606.34
    n-hexanol 725.55
    2-methoxyethanol 2014.96
    isobutyl acetate 593.27
    tetrachloromethane 551.33
    n-pentyl acetate 651.18
    transcutol 4938.45
    n-heptanol 224.55
    ethylbenzene 420.87
    MIBK 1083.93
    2-propoxyethanol 1571.97
    tert-butanol 1377.89
    MTBE 2095.08
    2-butoxyethanol 568.28
    propionic acid 955.01
    o-xylene 663.85
    formic acid 181.25
    diethyl ether 2839.63
    m-xylene 907.81
    p-xylene 520.95
    chlorobenzene 1903.9
    dimethyl carbonate 757.31
    n-octane 19.42
    formamide 554.57
    cyclopentanone 3904.83
    2-pentanone 2443.01
    anisole 1061.05
    cyclopentyl methyl ether 1904.65
    gamma-butyrolactone 4247.69
    1-methoxy-2-propanol 1483.14
    pyridine 3290.47
    3-pentanone 1694.89
    furfural 2436.77
    n-dodecane 15.48
    diethylene glycol 760.68
    diisopropyl ether 603.08
    tert-amyl alcohol 591.86
    acetylacetone 2739.43
    n-hexadecane 19.84
    acetophenone 736.58
    methyl propionate 2328.94
    isopentyl acetate 1323.12
    trichloroethylene 5683.73
    n-nonanol 188.09
    cyclohexanol 875.44
    benzyl alcohol 563.85
    2-ethylhexanol 347.07
    isooctanol 187.48
    dipropyl ether 813.17
    1,2-dichlorobenzene 1302.14
    ethyl lactate 289.54
    propylene carbonate 1683.5
    n-methylformamide 1738.45
    2-pentanol 597.31
    n-pentane 79.8
    1-propoxy-2-propanol 1036.76
    1-methoxy-2-propyl acetate 1833.86
    2-(2-methoxypropoxy) propanol 596.2
    mesitylene 480.41
    ε-caprolactone 2324.18
    p-cymene 248.72
    epichlorohydrin 4765.47
    1,1,1-trichloroethane 2770.88
    2-aminoethanol 416.67
    morpholine-4-carbaldehyde 1929.1
    sulfolane 2308.84
    2,2,4-trimethylpentane 36.17
    2-methyltetrahydrofuran 3149.59
    n-hexyl acetate 865.44
    isooctane 45.35
    2-(2-butoxyethoxy)ethanol 1014.25
    sec-butyl acetate 706.32
    tert-butyl acetate 1690.97
    decalin 67.91
    glycerin 271.35
    diglyme 2140.52
    acrylic acid 624.14
    isopropyl myristate 301.3
    n-butyric acid 1776.66
    acetyl acetate 1688.8
    di(2-ethylhexyl) phthalate 232.76
    ethyl propionate 1092.2
    nitromethane 2559.29
    1,2-diethoxyethane 2051.09
    benzonitrile 1280.79
    trioctyl phosphate 161.18
    1-bromopropane 1726.68
    gamma-valerolactone 4227.23
    n-decanol 136.31
    triethyl phosphate 272.36
    4-methyl-2-pentanol 354.34
    propionitrile 2393.4
    vinylene carbonate 1604.27
    1,1,2-trichlorotrifluoroethane 1214.42
    DMS 888.09
    cumene 233.47
    2-octanol 141.87
    2-hexanone 778.33
    octyl acetate 356.47
    limonene 345.1
    1,2-dimethoxyethane 1596.55
    ethyl orthosilicate 274.75
    tributyl phosphate 238.8
    diacetone alcohol 1071.61
    N,N-dimethylaniline 437.94
    acrylonitrile 2359.05
    aniline 1717.89
    1,3-propanediol 888.83
    bromobenzene 2124.6
    dibromomethane 2979.93
    1,1,2,2-tetrachloroethane 3455.12
    2-methyl-cyclohexyl acetate 489.19
    tetrabutyl urea 256.77
    diisobutyl methanol 242.66
    2-phenylethanol 673.78
    styrene 628.75
    dioctyl adipate 395.32
    dimethyl sulfate 738.45
    ethyl butyrate 988.48
    methyl lactate 506.83
    butyl lactate 416.14
    diethyl carbonate 582.43
    propanediol butyl ether 446.03
    triethyl orthoformate 535.82
    p-tert-butyltoluene 260.42
    methyl 4-tert-butylbenzoate 564.76
    morpholine 4744.13
    tert-butylamine 900.81
    n-dodecanol 101.17
    dimethoxymethane 2543.39
    ethylene carbonate 1513.97
    cyrene 364.1
    2-ethoxyethyl acetate 1323.45
    2-ethylhexyl acetate 891.59
    1,2,4-trichlorobenzene 1417.16
    4-methylpyridine 3156.11
    dibutyl ether 548.7
    2,6-dimethyl-4-heptanol 242.66
    DEF 1723.79
    dimethyl isosorbide 1145.37
    tetrachloroethylene 1899.19
    eugenol 466.96
    triacetin 799.49
    span 80 432.54
    1,4-butanediol 139.22
    1,1-dichloroethane 3672.69
    2-methyl-1-pentanol 269.83
    methyl formate 1370.06
    2-methyl-1-butanol 588.35
    n-decane 29.25
    butyronitrile 2264.83
    3,7-dimethyl-1-octanol 276.72
    1-chlorooctane 190.56
    1-chlorotetradecane 66.79
    n-nonane 27.47
    undecane 20.52
    tert-butylcyclohexane 57.77
    cyclooctane 66.06
    cyclopentanol 970.91
    tetrahydropyran 4390.74
    tert-amyl methyl ether 780.95
    2,5,8-trioxanonane 1117.47
    1-hexene 255.55
    2-isopropoxyethanol 461.43
    2,2,2-trifluoroethanol 280.13
    methyl butyrate 1285.94

    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