Annuionone B

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  • Identifiers

    CAS number
    211183-73-2

    Molecular formula
    C13H18O3

    SMILES
    CC(=O)/C=C/[C@@H]1[C@@]2(CC(=O)C[C@]1(OC2)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.68%
    Floral 66.69%
    Fruity 45.22%
    Sweet 41.89%
    Tobacco 33.18%
    Berry 31.15%
    Powdery 29.71%
    Dry 29.64%
    Raspberry 29.44%
    Fresh 29.23%

     

    Flavor
    Fruity 63.87%
    Sweet 35.98%
    Floral 32.76%
    Minty 32.58%
    Berry 32.21%
    Woody 31.77%
    Spicy 29.97%
    Spice 26.86%
    Tropical 26.55%
    Tobacco 24.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.03 (weak base)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 142.2 ˚C est.

  • Synonyms

    • Annuionone B
    • RefChem:915915
    • 9-Apo-17,5-epoxy-5,6-dihydro-beta-caroten-3,9-dione
    • DTXSID901131516
    • (1S,5R,8R)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
    • (1S,8R)-1beta,5beta-Dimethyl-8-(3-oxo-1-butenyl)-6-oxabicyclo[3.2.1]octane-3-one
    • 211183-73-2
    • (1S,5R,8R)-1,5-Dimethyl-8-[(1E)-3-oxo-1-buten-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
    • (1S,5R,8R)-1,5-Dimethyl-8-[(E)-3-oxobut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one
    • 211183-73-2

  • Applications

    Annuionone B is an aroma compound used primarily in perfumery to contribute floral and woody notes; in cosmetics and personal care as a fragrance ingredient; in household products such as cleaners and detergents to impart scent; in industrial manufacturing as an aroma intermediate for fragrance synthesis; and in coatings/inks as a fragrance additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.19
    methanol 363.6
    isopropanol 70.12
    water 58.78
    ethyl acetate 199.25
    n-propanol 83.6
    acetone 240.7
    n-butanol 61.89
    acetonitrile 369.02
    DMF 632.1
    toluene 95.29
    isobutanol 59.32
    1,4-dioxane 513.89
    methyl acetate 232.45
    THF 470.88
    2-butanone 142.34
    n-pentanol 43.89
    sec-butanol 49.56
    n-hexane 2.37
    ethylene glycol 105.27
    NMP 588.05
    cyclohexane 8.33
    DMSO 248.02
    n-butyl acetate 83.6
    n-octanol 54.21
    chloroform 713.31
    n-propyl acetate 101.4
    acetic acid 398.57
    dichloromethane 641.4
    cyclohexanone 249.37
    propylene glycol 96.27
    isopropyl acetate 98.75
    DMAc 417.67
    2-ethoxyethanol 135.78
    isopentanol 53.52
    n-heptane 3.66
    ethyl formate 211.65
    1,2-dichloroethane 197.39
    n-hexanol 64.0
    2-methoxyethanol 335.27
    isobutyl acetate 68.5
    tetrachloromethane 51.69
    n-pentyl acetate 68.74
    transcutol 553.57
    n-heptanol 40.08
    ethylbenzene 41.49
    MIBK 72.53
    2-propoxyethanol 227.91
    tert-butanol 82.49
    MTBE 42.63
    2-butoxyethanol 115.51
    propionic acid 185.99
    o-xylene 62.67
    formic acid 446.21
    diethyl ether 61.57
    m-xylene 76.58
    p-xylene 64.32
    chlorobenzene 172.69
    dimethyl carbonate 187.18
    n-octane 2.13
    formamide 510.01
    cyclopentanone 335.24
    2-pentanone 95.73
    anisole 148.27
    cyclopentyl methyl ether 147.49
    gamma-butyrolactone 563.34
    1-methoxy-2-propanol 210.07
    pyridine 314.07
    3-pentanone 90.37
    furfural 662.35
    n-dodecane 3.19
    diethylene glycol 257.42
    diisopropyl ether 20.01
    tert-amyl alcohol 50.91
    acetylacetone 231.94
    n-hexadecane 3.66
    acetophenone 160.21
    methyl propionate 189.19
    isopentyl acetate 76.21
    trichloroethylene 598.02
    n-nonanol 48.51
    cyclohexanol 83.8
    benzyl alcohol 131.71
    2-ethylhexanol 38.54
    isooctanol 31.93
    dipropyl ether 43.58
    1,2-dichlorobenzene 168.81
    ethyl lactate 87.34
    propylene carbonate 337.09
    n-methylformamide 407.87
    2-pentanol 34.37
    n-pentane 2.69
    1-propoxy-2-propanol 122.51
    1-methoxy-2-propyl acetate 146.51
    2-(2-methoxypropoxy) propanol 139.68
    mesitylene 41.3
    ε-caprolactone 265.71
    p-cymene 31.38
    epichlorohydrin 469.0
    1,1,1-trichloroethane 191.44
    2-aminoethanol 136.76
    morpholine-4-carbaldehyde 627.99
    sulfolane 408.06
    2,2,4-trimethylpentane 2.71
    2-methyltetrahydrofuran 203.93
    n-hexyl acetate 118.69
    isooctane 2.33
    2-(2-butoxyethoxy)ethanol 185.29
    sec-butyl acetate 61.58
    tert-butyl acetate 89.48
    decalin 6.12
    glycerin 185.44
    diglyme 334.27
    acrylic acid 239.24
    isopropyl myristate 45.75
    n-butyric acid 167.58
    acetyl acetate 214.77
    di(2-ethylhexyl) phthalate 65.49
    ethyl propionate 103.32
    nitromethane 876.42
    1,2-diethoxyethane 117.42
    benzonitrile 217.28
    trioctyl phosphate 42.74
    1-bromopropane 59.75
    gamma-valerolactone 610.29
    n-decanol 35.6
    triethyl phosphate 59.15
    4-methyl-2-pentanol 28.98
    propionitrile 163.46
    vinylene carbonate 428.82
    1,1,2-trichlorotrifluoroethane 342.29
    DMS 169.15
    cumene 31.42
    2-octanol 28.45
    2-hexanone 73.04
    octyl acetate 62.37
    limonene 36.17
    1,2-dimethoxyethane 256.57
    ethyl orthosilicate 53.2
    tributyl phosphate 53.76
    diacetone alcohol 119.05
    N,N-dimethylaniline 90.36
    acrylonitrile 289.37
    aniline 151.56
    1,3-propanediol 137.8
    bromobenzene 151.99
    dibromomethane 242.99
    1,1,2,2-tetrachloroethane 348.9
    2-methyl-cyclohexyl acetate 81.32
    tetrabutyl urea 71.79
    diisobutyl methanol 25.51
    2-phenylethanol 122.89
    styrene 53.06
    dioctyl adipate 76.47
    dimethyl sulfate 236.09
    ethyl butyrate 82.08
    methyl lactate 151.21
    butyl lactate 80.19
    diethyl carbonate 79.48
    propanediol butyl ether 128.72
    triethyl orthoformate 68.19
    p-tert-butyltoluene 28.68
    methyl 4-tert-butylbenzoate 118.39
    morpholine 402.98
    tert-butylamine 41.5
    n-dodecanol 27.52
    dimethoxymethane 323.45
    ethylene carbonate 303.49
    cyrene 179.93
    2-ethoxyethyl acetate 135.25
    2-ethylhexyl acetate 63.29
    1,2,4-trichlorobenzene 210.24
    4-methylpyridine 293.73
    dibutyl ether 43.65
    2,6-dimethyl-4-heptanol 25.51
    DEF 165.28
    dimethyl isosorbide 280.43
    tetrachloroethylene 212.68
    eugenol 136.19
    triacetin 168.54
    span 80 117.89
    1,4-butanediol 57.83
    1,1-dichloroethane 195.93
    2-methyl-1-pentanol 42.27
    methyl formate 433.63
    2-methyl-1-butanol 49.21
    n-decane 4.65
    butyronitrile 128.59
    3,7-dimethyl-1-octanol 49.24
    1-chlorooctane 25.93
    1-chlorotetradecane 11.73
    n-nonane 3.85
    undecane 3.75
    tert-butylcyclohexane 5.15
    cyclooctane 3.31
    cyclopentanol 112.89
    tetrahydropyran 192.4
    tert-amyl methyl ether 38.73
    2,5,8-trioxanonane 251.85
    1-hexene 11.42
    2-isopropoxyethanol 88.9
    2,2,2-trifluoroethanol 242.09
    methyl butyrate 128.59

    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