7-(2-Hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one

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  • Identifiers

    CAS number
    99957-12-7

    Molecular formula
    C15H26O2

    SMILES
    CC1CCC(CCC(=CCC1=O)C)C(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 72.65%
    Mint 63.67%
    Woody 58.86%
    Floral 55.37%
    Camphoreous 53.14%
    Fresh 48.9%
    Earthy 44.59%
    Cooling 39.38%
    Citrus 37.54%
    Musty 35.1%

     

    Flavor
    Minty 52.56%
    Herbal 36.2%
    Mint 33.61%
    Fruity 32.67%
    Herb 32.61%
    Camphor 24.28%
    Woody 20.33%
    Camphoraceous 19.55%
    Fresh 19.54%
    Must 19.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.79 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    355°C

    Flash point

    • 133.16 ˚C est.

  • Synonyms

    • 99957-12-7
    • DTXSID90701453
    • 7-(2-Hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one
    • 99957-12-7

  • Applications

    7-(2-Hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one is a cyclic ketone that is commonly considered in fragrance chemistry as a potential fragrance ingredient and synthetic intermediate. In perfumery, it may be used as an odorant or as part of a scaffold to build more complex aroma compounds, and it can function as a fixative or aroma modifier in formulations. In cosmetics and personal care, it may be evaluated for inclusion in scented products such as creams, lotions, and cleansers as a fragrance component. In household products, it can serve as a fragrance component in air fresheners, detergents, and cleaners. In industrial manufacturing, it can be used as an intermediate for the synthesis of other aroma chemicals or as a building block in fragrance development. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 513.25
    methanol 600.34
    isopropanol 432.11
    water 1.51
    ethyl acetate 251.74
    n-propanol 386.83
    acetone 285.32
    n-butanol 370.97
    acetonitrile 217.89
    DMF 381.45
    toluene 233.52
    isobutanol 254.02
    1,4-dioxane 685.31
    methyl acetate 255.06
    THF 749.29
    2-butanone 292.06
    n-pentanol 230.58
    sec-butanol 300.96
    n-hexane 26.97
    ethylene glycol 60.14
    NMP 266.92
    cyclohexane 54.7
    DMSO 316.82
    n-butyl acetate 232.0
    n-octanol 154.19
    chloroform 750.28
    n-propyl acetate 174.21
    acetic acid 228.71
    dichloromethane 489.14
    cyclohexanone 350.63
    propylene glycol 146.69
    isopropyl acetate 193.37
    DMAc 374.69
    2-ethoxyethanol 294.14
    isopentanol 303.31
    n-heptane 19.26
    ethyl formate 164.48
    1,2-dichloroethane 244.12
    n-hexanol 300.59
    2-methoxyethanol 471.97
    isobutyl acetate 147.65
    tetrachloromethane 104.09
    n-pentyl acetate 156.46
    transcutol 1147.43
    n-heptanol 151.86
    ethylbenzene 130.27
    MIBK 175.43
    2-propoxyethanol 413.94
    tert-butanol 457.68
    MTBE 296.15
    2-butoxyethanol 263.81
    propionic acid 194.11
    o-xylene 139.47
    formic acid 90.46
    diethyl ether 271.99
    m-xylene 161.22
    p-xylene 168.55
    chlorobenzene 224.12
    dimethyl carbonate 82.25
    n-octane 9.11
    formamide 133.66
    cyclopentanone 328.61
    2-pentanone 236.23
    anisole 235.63
    cyclopentyl methyl ether 267.63
    gamma-butyrolactone 317.27
    1-methoxy-2-propanol 404.53
    pyridine 380.44
    3-pentanone 162.61
    furfural 353.09
    n-dodecane 7.89
    diethylene glycol 278.13
    diisopropyl ether 86.79
    tert-amyl alcohol 308.99
    acetylacetone 239.42
    n-hexadecane 9.12
    acetophenone 196.72
    methyl propionate 169.58
    isopentyl acetate 235.0
    trichloroethylene 485.03
    n-nonanol 133.88
    cyclohexanol 254.62
    benzyl alcohol 217.5
    2-ethylhexanol 168.98
    isooctanol 122.44
    dipropyl ether 143.38
    1,2-dichlorobenzene 192.64
    ethyl lactate 105.32
    propylene carbonate 236.96
    n-methylformamide 173.3
    2-pentanol 220.37
    n-pentane 27.5
    1-propoxy-2-propanol 317.55
    1-methoxy-2-propyl acetate 263.2
    2-(2-methoxypropoxy) propanol 272.77
    mesitylene 104.01
    ε-caprolactone 324.6
    p-cymene 84.19
    epichlorohydrin 374.77
    1,1,1-trichloroethane 279.98
    2-aminoethanol 182.69
    morpholine-4-carbaldehyde 443.95
    sulfolane 306.21
    2,2,4-trimethylpentane 19.76
    2-methyltetrahydrofuran 444.2
    n-hexyl acetate 231.04
    isooctane 16.95
    2-(2-butoxyethoxy)ethanol 389.68
    sec-butyl acetate 141.89
    tert-butyl acetate 212.38
    decalin 30.87
    glycerin 172.1
    diglyme 581.08
    acrylic acid 148.08
    isopropyl myristate 91.77
    n-butyric acid 281.45
    acetyl acetate 165.05
    di(2-ethylhexyl) phthalate 110.13
    ethyl propionate 137.12
    nitromethane 272.31
    1,2-diethoxyethane 311.36
    benzonitrile 246.14
    trioctyl phosphate 77.03
    1-bromopropane 192.2
    gamma-valerolactone 479.43
    n-decanol 93.05
    triethyl phosphate 88.04
    4-methyl-2-pentanol 150.72
    propionitrile 224.03
    vinylene carbonate 225.31
    1,1,2-trichlorotrifluoroethane 291.84
    DMS 156.29
    cumene 93.03
    2-octanol 98.62
    2-hexanone 192.76
    octyl acetate 114.73
    limonene 108.94
    1,2-dimethoxyethane 442.77
    ethyl orthosilicate 92.85
    tributyl phosphate 89.56
    diacetone alcohol 254.02
    N,N-dimethylaniline 158.3
    acrylonitrile 208.48
    aniline 263.87
    1,3-propanediol 276.05
    bromobenzene 217.7
    dibromomethane 334.67
    1,1,2,2-tetrachloroethane 447.18
    2-methyl-cyclohexyl acetate 161.43
    tetrabutyl urea 105.38
    diisobutyl methanol 98.63
    2-phenylethanol 224.36
    styrene 151.17
    dioctyl adipate 134.56
    dimethyl sulfate 108.39
    ethyl butyrate 160.39
    methyl lactate 120.96
    butyl lactate 154.34
    diethyl carbonate 112.05
    propanediol butyl ether 295.07
    triethyl orthoformate 134.0
    p-tert-butyltoluene 85.16
    methyl 4-tert-butylbenzoate 192.85
    morpholine 730.36
    tert-butylamine 287.45
    n-dodecanol 67.29
    dimethoxymethane 267.97
    ethylene carbonate 194.95
    cyrene 209.55
    2-ethoxyethyl acetate 222.05
    2-ethylhexyl acetate 180.89
    1,2,4-trichlorobenzene 237.37
    4-methylpyridine 395.59
    dibutyl ether 129.71
    2,6-dimethyl-4-heptanol 98.63
    DEF 224.06
    dimethyl isosorbide 360.53
    tetrachloroethylene 283.49
    eugenol 198.77
    triacetin 225.54
    span 80 243.29
    1,4-butanediol 107.16
    1,1-dichloroethane 302.8
    2-methyl-1-pentanol 207.88
    methyl formate 118.57
    2-methyl-1-butanol 244.32
    n-decane 15.25
    butyronitrile 270.76
    3,7-dimethyl-1-octanol 154.05
    1-chlorooctane 68.53
    1-chlorotetradecane 26.37
    n-nonane 13.61
    undecane 10.56
    tert-butylcyclohexane 30.04
    cyclooctane 18.35
    cyclopentanol 225.79
    tetrahydropyran 569.03
    tert-amyl methyl ether 188.83
    2,5,8-trioxanonane 401.6
    1-hexene 110.2
    2-isopropoxyethanol 219.67
    2,2,2-trifluoroethanol 76.61
    methyl butyrate 176.19

    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