Tanacetol B

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  • Identifiers

    CAS number
    86787-28-2

    Molecular formula
    C17H28O4

    SMILES
    C/C/1=C\[C@@H](CC(=C)[C@H](C[C@@H](CC1)C(C)(C)O)O)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 54.42%
    Floral 54.32%
    Herbal 51.5%
    Sweet 43.46%
    Woody 40.96%
    Cooling 36.09%
    Fresh 34.34%
    Camphoreous 29.49%
    Spicy 28.0%
    Odorless 24.78%

     

    Flavor
    Minty 52.89%
    Fruity 43.62%
    Sweet 42.17%
    Herbal 41.16%
    Mint 36.21%
    Floral 29.24%
    Tropical 28.77%
    Woody 26.67%
    Fresh 25.98%
    Herb 24.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.21 (weak base)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 161.83 ˚C est.

  • Synonyms

    • Tanacetol B
    • Tanacetol-b
    • UNII-ZVR767631F
    • NSC-376681
    • ZVR767631F
    • 86787-28-2
    • 5-Cyclodecene-1,4-diol, 9-(1-hydroxy-1-methylethyl)-6-methyl-2-methylene-, 4-acetate, (1S-(1R*,4S*,5E,9S*))-
    • [(1R,2E,6R,8S)-8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl] acetate
    • ((1R,2E,6R,8S)-8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl) acetate
    • RefChem:187372
    • 5-Cyclodecene-1,4-diol, 9-(1-hydroxy-1-methylethyl)-6-methyl-2-methylene-, 4-acetate, (1S,4R,5E,9R)-
    • NSC376681
    • TANACETOL
    • SCHEMBL30119863
    • CHEBI:171712
    • Q27295915
    • 86787-28-2

  • Applications

    Tanacetol B (CAS 86787-28-2) is primarily considered for aroma and fragrance applications in perfumery and cosmetics/personal care, functioning as an odorant in fragrance formulations and cosmetic products; it is also evaluated as a fragrance ingredient in household and cleaning products and may be used as a scent additive in detergents and laundry formulations. Given its alcoholic functionality, Tanacetol B may be used as a solvent or processing aid in coatings and inks, and can serve as an intermediate in fragrance synthesis for industrial manufacturing. Usage should be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 891.99
    methanol 1781.18
    isopropanol 541.55
    water 4.61
    ethyl acetate 132.9
    n-propanol 477.33
    acetone 309.73
    n-butanol 369.66
    acetonitrile 115.88
    DMF 698.44
    toluene 62.27
    isobutanol 265.15
    1,4-dioxane 715.55
    methyl acetate 133.16
    THF 1009.59
    2-butanone 177.78
    n-pentanol 269.84
    sec-butanol 288.12
    n-hexane 2.91
    ethylene glycol 147.79
    NMP 285.18
    cyclohexane 7.37
    DMSO 604.12
    n-butyl acetate 100.25
    n-octanol 106.76
    chloroform 203.89
    n-propyl acetate 102.21
    acetic acid 370.49
    dichloromethane 144.47
    cyclohexanone 243.13
    propylene glycol 378.63
    isopropyl acetate 107.23
    DMAc 501.78
    2-ethoxyethanol 550.73
    isopentanol 269.02
    n-heptane 2.39
    ethyl formate 142.09
    1,2-dichloroethane 83.71
    n-hexanol 210.36
    2-methoxyethanol 985.85
    isobutyl acetate 85.29
    tetrachloromethane 17.84
    n-pentyl acetate 77.3
    transcutol 933.73
    n-heptanol 107.4
    ethylbenzene 41.14
    MIBK 116.16
    2-propoxyethanol 478.94
    tert-butanol 501.07
    MTBE 136.31
    2-butoxyethanol 267.53
    propionic acid 179.49
    o-xylene 40.34
    formic acid 309.02
    diethyl ether 101.62
    m-xylene 47.4
    p-xylene 54.79
    chlorobenzene 58.06
    dimethyl carbonate 78.35
    n-octane 1.82
    formamide 360.19
    cyclopentanone 272.17
    2-pentanone 141.27
    anisole 149.55
    cyclopentyl methyl ether 169.05
    gamma-butyrolactone 258.38
    1-methoxy-2-propanol 699.93
    pyridine 221.8
    3-pentanone 70.24
    furfural 283.9
    n-dodecane 2.23
    diethylene glycol 429.17
    diisopropyl ether 23.91
    tert-amyl alcohol 276.09
    acetylacetone 202.65
    n-hexadecane 2.52
    acetophenone 123.65
    methyl propionate 112.22
    isopentyl acetate 108.15
    trichloroethylene 167.32
    n-nonanol 95.55
    cyclohexanol 191.25
    benzyl alcohol 197.26
    2-ethylhexanol 82.04
    isooctanol 78.95
    dipropyl ether 53.16
    1,2-dichlorobenzene 50.9
    ethyl lactate 98.33
    propylene carbonate 164.65
    n-methylformamide 334.66
    2-pentanol 159.13
    n-pentane 2.85
    1-propoxy-2-propanol 276.15
    1-methoxy-2-propyl acetate 166.5
    2-(2-methoxypropoxy) propanol 232.81
    mesitylene 27.96
    ε-caprolactone 213.34
    p-cymene 24.54
    epichlorohydrin 350.4
    1,1,1-trichloroethane 57.93
    2-aminoethanol 424.66
    morpholine-4-carbaldehyde 555.82
    sulfolane 289.72
    2,2,4-trimethylpentane 2.91
    2-methyltetrahydrofuran 329.6
    n-hexyl acetate 121.07
    isooctane 2.51
    2-(2-butoxyethoxy)ethanol 388.33
    sec-butyl acetate 73.32
    tert-butyl acetate 121.59
    decalin 5.32
    glycerin 403.71
    diglyme 538.36
    acrylic acid 138.75
    isopropyl myristate 45.81
    n-butyric acid 279.68
    acetyl acetate 92.55
    di(2-ethylhexyl) phthalate 68.63
    ethyl propionate 78.97
    nitromethane 359.57
    1,2-diethoxyethane 178.15
    benzonitrile 120.96
    trioctyl phosphate 45.07
    1-bromopropane 40.19
    gamma-valerolactone 540.69
    n-decanol 66.15
    triethyl phosphate 45.47
    4-methyl-2-pentanol 104.45
    propionitrile 95.82
    vinylene carbonate 148.64
    1,1,2-trichlorotrifluoroethane 293.18
    DMS 78.75
    cumene 30.32
    2-octanol 63.5
    2-hexanone 108.57
    octyl acetate 65.37
    limonene 30.18
    1,2-dimethoxyethane 696.38
    ethyl orthosilicate 46.62
    tributyl phosphate 49.98
    diacetone alcohol 262.16
    N,N-dimethylaniline 102.25
    acrylonitrile 114.12
    aniline 141.43
    1,3-propanediol 563.1
    bromobenzene 43.9
    dibromomethane 77.32
    1,1,2,2-tetrachloroethane 163.29
    2-methyl-cyclohexyl acetate 86.31
    tetrabutyl urea 73.71
    diisobutyl methanol 41.73
    2-phenylethanol 161.71
    styrene 47.87
    dioctyl adipate 80.3
    dimethyl sulfate 100.45
    ethyl butyrate 71.66
    methyl lactate 138.35
    butyl lactate 108.52
    diethyl carbonate 52.05
    propanediol butyl ether 321.39
    triethyl orthoformate 67.43
    p-tert-butyltoluene 23.77
    methyl 4-tert-butylbenzoate 118.89
    morpholine 887.47
    tert-butylamine 163.65
    n-dodecanol 45.89
    dimethoxymethane 447.2
    ethylene carbonate 136.04
    cyrene 207.59
    2-ethoxyethyl acetate 127.74
    2-ethylhexyl acetate 73.14
    1,2,4-trichlorobenzene 69.11
    4-methylpyridine 221.89
    dibutyl ether 59.77
    2,6-dimethyl-4-heptanol 41.73
    DEF 160.56
    dimethyl isosorbide 300.97
    tetrachloroethylene 89.13
    eugenol 154.66
    triacetin 122.02
    span 80 199.33
    1,4-butanediol 240.88
    1,1-dichloroethane 75.26
    2-methyl-1-pentanol 186.4
    methyl formate 233.27
    2-methyl-1-butanol 203.72
    n-decane 4.06
    butyronitrile 135.53
    3,7-dimethyl-1-octanol 91.03
    1-chlorooctane 23.69
    1-chlorotetradecane 9.11
    n-nonane 3.26
    undecane 2.89
    tert-butylcyclohexane 4.87
    cyclooctane 2.45
    cyclopentanol 215.32
    tetrahydropyran 377.93
    tert-amyl methyl ether 87.48
    2,5,8-trioxanonane 390.83
    1-hexene 21.07
    2-isopropoxyethanol 305.07
    2,2,2-trifluoroethanol 89.06
    methyl butyrate 116.99

    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