Tanacetol A

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  • Identifiers

    CAS number
    86778-06-5

    Molecular formula
    C17H26O4

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

    Safety labels

  • Odor profile

    Fragrance
    Mint 52.06%
    Floral 49.93%
    Sweet 44.29%
    Herbal 44.15%
    Woody 42.69%
    Fruity 29.43%
    Fresh 28.99%
    Cooling 28.51%
    Tobacco 27.58%
    Camphoreous 27.52%

     

    Flavor
    Minty 50.16%
    Sweet 44.49%
    Fruity 42.52%
    Mint 32.93%
    Floral 27.17%
    Herbal 26.97%
    Tropical 24.19%
    Berry 23.69%
    Spice 22.91%
    Spicy 22.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.61 (neutral)

    Molecular weight
    294.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    402°C

    Flash point

    • 155.52 ˚C est.

  • Synonyms

    • Tanacetol A
    • Tanacetol-a
    • (-)-Tanacetol-a
    • UNII-8KM3347TK8
    • 8KM3347TK8
    • 86778-06-5
    • 5-Cyclodecen-1-one, 4-(acetyloxy)-9-(1-hydroxy-1-methylethyl)-6-methyl-2-methylene-, (4R,5E,9R)-
    • 5-Cyclodecen-1-one, 4-(acetyloxy)-9-(1-hydroxy-1-methylethyl)-6-methyl-2-methylene-, (4R-(4R*,5E,9R*))-
    • [(1R,2E,6R)-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidene-8-oxocyclodec-2-en-1-yl] acetate
    • ((1R,2E,6R)-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidene-8-oxocyclodec-2-en-1-yl) acetate
    • RefChem:187371
    • CHEBI:156172
    • DTXSID801120114
    • Q27270676
    • (1R,2E,6R)-6-(2-Hydroxypropan-2-yl)-3-methyl-9-methylidene-8-oxocyclodec-2-en-1-yl acetate
    • (4R,5E,9R)-4-(Acetyloxy)-9-(1-hydroxy-1-methylethyl)-6-methyl-2-methylene-5-cyclodecen-1-one
    • 86778-06-5

  • Applications

    Tanacetol A (CAS 86778-06-5) is primarily encountered as an aroma-related chemical used in fragrance formulation; it may serve as an aroma ingredient in perfumery and in cosmetics/personal care products. It can function as an odorant or freshening additive in household cleaning products and air-care formulations. In industrial manufacturing, it is often considered an intermediate in the synthesis of fragrance-related compounds and for related organic transformations. In coatings and inks, it can be employed as a fragrance additive to impart a pleasant scent. Additionally, it may act as a solvent or processing aid in specialized formulation chemistries, dependent on regulatory and compatibility considerations, and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 617.46
    methanol 1131.63
    isopropanol 403.13
    water 2.64
    ethyl acetate 155.07
    n-propanol 369.24
    acetone 349.32
    n-butanol 284.53
    acetonitrile 148.03
    DMF 751.99
    toluene 88.24
    isobutanol 220.37
    1,4-dioxane 695.75
    methyl acetate 176.22
    THF 867.82
    2-butanone 228.31
    n-pentanol 236.79
    sec-butanol 267.84
    n-hexane 2.48
    ethylene glycol 95.24
    NMP 369.13
    cyclohexane 6.64
    DMSO 547.82
    n-butyl acetate 110.6
    n-octanol 95.4
    chloroform 326.0
    n-propyl acetate 117.1
    acetic acid 333.08
    dichloromethane 238.93
    cyclohexanone 294.15
    propylene glycol 245.48
    isopropyl acetate 115.39
    DMAc 630.12
    2-ethoxyethanol 466.85
    isopentanol 223.39
    n-heptane 1.79
    ethyl formate 163.66
    1,2-dichloroethane 119.62
    n-hexanol 174.14
    2-methoxyethanol 790.8
    isobutyl acetate 98.1
    tetrachloromethane 20.23
    n-pentyl acetate 80.42
    transcutol 882.29
    n-heptanol 86.31
    ethylbenzene 57.33
    MIBK 120.21
    2-propoxyethanol 402.75
    tert-butanol 386.08
    MTBE 130.3
    2-butoxyethanol 224.36
    propionic acid 179.35
    o-xylene 51.15
    formic acid 232.02
    diethyl ether 100.45
    m-xylene 54.88
    p-xylene 81.27
    chlorobenzene 90.49
    dimethyl carbonate 92.27
    n-octane 1.5
    formamide 323.73
    cyclopentanone 310.74
    2-pentanone 160.31
    anisole 191.94
    cyclopentyl methyl ether 166.1
    gamma-butyrolactone 308.66
    1-methoxy-2-propanol 542.06
    pyridine 292.85
    3-pentanone 89.72
    furfural 350.69
    n-dodecane 2.21
    diethylene glycol 363.82
    diisopropyl ether 23.25
    tert-amyl alcohol 255.75
    acetylacetone 225.44
    n-hexadecane 2.55
    acetophenone 162.7
    methyl propionate 131.15
    isopentyl acetate 117.55
    trichloroethylene 252.06
    n-nonanol 86.24
    cyclohexanol 174.84
    benzyl alcohol 227.4
    2-ethylhexanol 74.11
    isooctanol 65.78
    dipropyl ether 50.17
    1,2-dichlorobenzene 77.21
    ethyl lactate 101.07
    propylene carbonate 201.8
    n-methylformamide 326.28
    2-pentanol 133.12
    n-pentane 2.18
    1-propoxy-2-propanol 237.64
    1-methoxy-2-propyl acetate 171.02
    2-(2-methoxypropoxy) propanol 232.48
    mesitylene 29.93
    ε-caprolactone 251.0
    p-cymene 27.33
    epichlorohydrin 395.08
    1,1,1-trichloroethane 90.37
    2-aminoethanol 287.41
    morpholine-4-carbaldehyde 624.09
    sulfolane 321.66
    2,2,4-trimethylpentane 2.69
    2-methyltetrahydrofuran 338.45
    n-hexyl acetate 127.03
    isooctane 2.05
    2-(2-butoxyethoxy)ethanol 350.26
    sec-butyl acetate 85.83
    tert-butyl acetate 122.16
    decalin 5.92
    glycerin 289.54
    diglyme 522.82
    acrylic acid 142.3
    isopropyl myristate 49.82
    n-butyric acid 255.64
    acetyl acetate 112.78
    di(2-ethylhexyl) phthalate 74.32
    ethyl propionate 94.98
    nitromethane 392.21
    1,2-diethoxyethane 181.02
    benzonitrile 161.21
    trioctyl phosphate 45.26
    1-bromopropane 57.4
    gamma-valerolactone 606.18
    n-decanol 60.59
    triethyl phosphate 52.63
    4-methyl-2-pentanol 87.88
    propionitrile 123.31
    vinylene carbonate 189.58
    1,1,2-trichlorotrifluoroethane 310.27
    DMS 100.6
    cumene 39.63
    2-octanol 54.83
    2-hexanone 131.12
    octyl acetate 69.62
    limonene 32.85
    1,2-dimethoxyethane 659.8
    ethyl orthosilicate 51.68
    tributyl phosphate 54.69
    diacetone alcohol 247.15
    N,N-dimethylaniline 130.92
    acrylonitrile 143.03
    aniline 172.51
    1,3-propanediol 397.5
    bromobenzene 71.37
    dibromomethane 126.86
    1,1,2,2-tetrachloroethane 233.22
    2-methyl-cyclohexyl acetate 97.34
    tetrabutyl urea 81.31
    diisobutyl methanol 38.11
    2-phenylethanol 178.39
    styrene 70.52
    dioctyl adipate 89.14
    dimethyl sulfate 118.36
    ethyl butyrate 83.18
    methyl lactate 135.76
    butyl lactate 107.41
    diethyl carbonate 63.53
    propanediol butyl ether 273.88
    triethyl orthoformate 71.52
    p-tert-butyltoluene 26.18
    methyl 4-tert-butylbenzoate 129.32
    morpholine 826.2
    tert-butylamine 135.24
    n-dodecanol 42.02
    dimethoxymethane 424.65
    ethylene carbonate 161.54
    cyrene 220.9
    2-ethoxyethyl acetate 136.28
    2-ethylhexyl acetate 81.81
    1,2,4-trichlorobenzene 103.66
    4-methylpyridine 317.76
    dibutyl ether 65.03
    2,6-dimethyl-4-heptanol 38.11
    DEF 193.06
    dimethyl isosorbide 309.12
    tetrachloroethylene 117.79
    eugenol 166.2
    triacetin 139.09
    span 80 188.17
    1,4-butanediol 187.21
    1,1-dichloroethane 118.79
    2-methyl-1-pentanol 184.75
    methyl formate 241.94
    2-methyl-1-butanol 185.61
    n-decane 3.95
    butyronitrile 154.71
    3,7-dimethyl-1-octanol 86.21
    1-chlorooctane 25.1
    1-chlorotetradecane 10.13
    n-nonane 3.03
    undecane 2.87
    tert-butylcyclohexane 5.3
    cyclooctane 1.92
    cyclopentanol 195.36
    tetrahydropyran 368.12
    tert-amyl methyl ether 90.03
    2,5,8-trioxanonane 373.84
    1-hexene 23.27
    2-isopropoxyethanol 266.33
    2,2,2-trifluoroethanol 87.14
    methyl butyrate 140.56

    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