• Identifiers

    CAS number
    60619-46-7

    Molecular formula
    C12H20O2

    SMILES
    CC(C)[C@H](CCC(=O)C)/C=C/C(=O)C

  • Odor profile

    Woody 69.19%
    Fruity 57.24%
    Floral 44.93%
    Dry 44.38%
    Berry 35.21%
    Sweet 33.49%
    Orris 32.92%
    Fresh 31.11%
    Herbal 29.16%
    Raspberry 27.93%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.68 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point est.
    110.18 ˚C

  • Synonyms

    • Norsolanadione
    • Norsolanedione
    • Oxysolanone
    • VB9QK4IXW4
    • UNII-VB9QK4IXW4
    • (3E,5S)-5-(1-Methylethyl)-3-nonene-2,8-dione
    • 3-Nonene-2,8-dione, 5-(1-methylethyl)-, (3E,5S)-
    • 60619-46-7
  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 645.9
    methanol 797.77
    isopropanol 529.4
    water 3.59
    ethyl acetate 292.46
    n-propanol 384.05
    acetone 447.4
    n-butanol 344.55
    acetonitrile 287.32
    DMF 458.39
    toluene 140.24
    isobutanol 279.05
    1,4-dioxane 804.74
    methyl acetate 281.73
    THF 893.05
    2-butanone 279.05
    n-pentanol 237.52
    sec-butanol 321.51
    n-hexane 27.66
    ethylene glycol 130.17
    NMP 402.52
    cyclohexane 52.55
    DMSO 380.8
    n-butyl acetate 219.3
    n-octanol 161.59
    chloroform 651.57
    n-propyl acetate 157.0
    acetic acid 378.42
    dichloromethane 487.04
    cyclohexanone 436.35
    propylene glycol 260.81
    isopropyl acetate 181.88
    DMAc 404.5
    2-ethoxyethanol 307.57
    isopentanol 279.18
    n-heptane 22.88
    ethyl formate 186.77
    1,2-dichloroethane 241.25
    n-hexanol 308.79
    2-methoxyethanol 568.33
    isobutyl acetate 129.39
    tetrachloromethane 90.74
    n-pentyl acetate 140.39
    transcutol 975.43
    n-heptanol 133.16
    ethylbenzene 96.11
    MIBK 157.11
    2-propoxyethanol 435.08
    tert-butanol 588.32
    MTBE 266.12
    2-butoxyethanol 228.46
    propionic acid 286.5
    o-xylene 110.25
    formic acid 134.34
    diethyl ether 208.85
    m-xylene 117.46
    p-xylene 131.88
    chlorobenzene 174.56
    dimethyl carbonate 77.82
    n-octane 12.34
    formamide 166.67
    cyclopentanone 457.38
    2-pentanone 227.27
    anisole 214.03
    cyclopentyl methyl ether 283.98
    gamma-butyrolactone 494.76
    1-methoxy-2-propanol 439.97
    pyridine 329.56
    3-pentanone 141.46
    furfural 412.03
    n-dodecane 13.39
    diethylene glycol 326.82
    diisopropyl ether 70.04
    tert-amyl alcohol 350.2
    acetylacetone 284.84
    n-hexadecane 15.0
    acetophenone 176.07
    methyl propionate 185.12
    isopentyl acetate 209.55
    trichloroethylene 454.28
    n-nonanol 135.34
    cyclohexanol 329.96
    benzyl alcohol 198.71
    2-ethylhexanol 155.86
    isooctanol 103.06
    dipropyl ether 130.71
    1,2-dichlorobenzene 152.17
    ethyl lactate 105.57
    propylene carbonate 290.14
    n-methylformamide 216.66
    2-pentanol 217.56
    n-pentane 23.59
    1-propoxy-2-propanol 307.93
    1-methoxy-2-propyl acetate 239.26
    2-(2-methoxypropoxy) propanol 253.03
    mesitylene 74.44
    ε-caprolactone 385.25
    p-cymene 70.89
    epichlorohydrin 479.33
    1,1,1-trichloroethane 296.59
    2-aminoethanol 275.51
    morpholine-4-carbaldehyde 539.93
    sulfolane 438.08
    2,2,4-trimethylpentane 19.01
    2-methyltetrahydrofuran 551.09
    n-hexyl acetate 244.42
    isooctane 15.57
    2-(2-butoxyethoxy)ethanol 343.85
    sec-butyl acetate 123.79
    tert-butyl acetate 203.23
    decalin 31.65
    glycerin 265.8
    diglyme 507.48
    acrylic acid 207.61
    isopropyl myristate 97.32
    n-butyric acid 361.39
    acetyl acetate 190.54
    di(2-ethylhexyl) phthalate 111.51
    ethyl propionate 137.02
    nitromethane 396.49
    1,2-diethoxyethane 270.76
    benzonitrile 228.42
    trioctyl phosphate 76.51
    1-bromopropane 163.63
    gamma-valerolactone 625.04
    n-decanol 102.68
    triethyl phosphate 88.65
    4-methyl-2-pentanol 135.96
    propionitrile 211.91
    vinylene carbonate 258.11
    1,1,2-trichlorotrifluoroethane 339.63
    DMS 165.34
    cumene 75.33
    2-octanol 99.16
    2-hexanone 174.61
    octyl acetate 127.13
    limonene 109.62
    1,2-dimethoxyethane 447.28
    ethyl orthosilicate 87.95
    tributyl phosphate 93.1
    diacetone alcohol 280.55
    N,N-dimethylaniline 143.34
    acrylonitrile 222.32
    aniline 218.35
    1,3-propanediol 353.85
    bromobenzene 163.47
    dibromomethane 316.66
    1,1,2,2-tetrachloroethane 410.81
    2-methyl-cyclohexyl acetate 161.86
    tetrabutyl urea 112.69
    diisobutyl methanol 94.84
    2-phenylethanol 204.28
    styrene 112.8
    dioctyl adipate 146.23
    dimethyl sulfate 116.02
    ethyl butyrate 157.82
    methyl lactate 138.69
    butyl lactate 145.48
    diethyl carbonate 117.52
    propanediol butyl ether 285.06
    triethyl orthoformate 122.46
    p-tert-butyltoluene 73.53
    methyl 4-tert-butylbenzoate 177.97
    morpholine 838.72
    tert-butylamine 325.33
    n-dodecanol 80.79
    dimethoxymethane 273.56
    ethylene carbonate 214.03
    cyrene 213.15
    2-ethoxyethyl acetate 203.67
    2-ethylhexyl acetate 157.1
    1,2,4-trichlorobenzene 198.35
    4-methylpyridine 368.66
    dibutyl ether 150.51
    2,6-dimethyl-4-heptanol 94.84
    DEF 209.67
    dimethyl isosorbide 393.42
    tetrachloroethylene 234.94
    eugenol 181.21
    triacetin 226.79
    span 80 239.91
    1,4-butanediol 153.33
    1,1-dichloroethane 311.89
    2-methyl-1-pentanol 194.07
    methyl formate 164.84
    2-methyl-1-butanol 235.98
    n-decane 21.12
    butyronitrile 256.34
    3,7-dimethyl-1-octanol 145.27
    1-chlorooctane 81.45
    1-chlorotetradecane 36.67
    n-nonane 19.63
    undecane 16.33
    tert-butylcyclohexane 33.9
    cyclooctane 16.37
    cyclopentanol 343.38
    tetrahydropyran 584.71
    tert-amyl methyl ether 182.11
    2,5,8-trioxanonane 393.34
    1-hexene 107.84
    2-isopropoxyethanol 221.41
    2,2,2-trifluoroethanol 112.7
    methyl butyrate 180.92

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Tobacco, Yaka 8037-19-2 Nicotiana tabacum L., fam. Solanaceae 0.3%