Tagetone, (E)-

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  • Identifiers

    CAS number
    6752-80-3

    Molecular formula
    C10H16O

    SMILES
    CC(C)CC(=O)/C=C(\C)/C=C

    Retention indicies (RI)

    • DB5: 1145.0
    • Carbowax: 1460.5

  • Odor profile

    Fruity 66.11%
    Herbal 62.68%
    Green 54.21%
    Mint 50.91%
    Sweet 45.18%
    Spicy 41.08%
    Metallic 38.83%
    Earthy 37.43%
    Pungent 34.7%
    Ketonic 34.66%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point est.
    67.43 ˚C

  • Synonyms

    • (E)-Tagetone
    • trans-Tagetone
    • Tagetone, (E)-
    • 6752-80-3
    • (E)-2,6-Dimethylocta-5,7-dien-4-one
    • 9V8N4C9UN5
    • (5E)-2,6-dimethylocta-5,7-dien-4-one
    • TAGETONE, TRANS-
    • EINECS 229-813-0
    • 5,7-Octadien-4-one, 2,6-dimethyl-, (E)-
    • DTXSID501317899
    • 5,7-Octadien-4-one, 2,6-dimethyl-, (5E)-
    • UNII-9V8N4C9UN5
    • SCHEMBL11018652
    • DTXCID401747695
    • (5E)-2,6-Dimethyl-5,7-octadien-4-one
    • (5E)-2,6-dimethyl-octa-5,7-dien-4-one
    • NS00046531
    • Q27273267

  • Applications

    Tagetone, (E)-isomer, CAS 6752-80-3, is a monoterpene ketone with a characteristic green herbaceous, marigold-like odor; in fragrance it is used as a nuance or modifier in fine fragrances, soaps, and home and personal care to impart fresh green, tea-like and slightly fruity facets, while in flavor it is applied at very low levels to reinforce herbal and green-apple notes; in research, (E)-tagetone serves as an analytical reference and authenticity marker for Tagetes essential oil, as a building block for organic synthesis and monoterpene biotransformation studies, and, due to its bioactivity, it is also investigated as a contributor to the antimicrobial, insect-repellent, and crop-protective effects of marigold oil in biocontrol formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 543.05
    methanol 616.81
    isopropanol 534.16
    water 1.24
    ethyl acetate 291.81
    n-propanol 481.74
    acetone 435.89
    n-butanol 549.54
    acetonitrile 339.08
    DMF 502.19
    toluene 243.17
    isobutanol 437.23
    1,4-dioxane 669.89
    methyl acetate 277.68
    THF 1017.31
    2-butanone 377.64
    n-pentanol 398.71
    sec-butanol 507.28
    n-hexane 357.3
    ethylene glycol 92.73
    NMP 572.36
    cyclohexane 403.77
    DMSO 314.58
    n-butyl acetate 459.39
    n-octanol 315.89
    chloroform 1192.06
    n-propyl acetate 212.93
    acetic acid 423.2
    dichloromethane 663.31
    cyclohexanone 757.39
    propylene glycol 191.31
    isopropyl acetate 204.26
    DMAc 405.43
    2-ethoxyethanol 246.53
    isopentanol 467.43
    n-heptane 208.01
    ethyl formate 233.53
    1,2-dichloroethane 381.34
    n-hexanol 825.63
    2-methoxyethanol 443.92
    isobutyl acetate 186.29
    tetrachloromethane 222.25
    n-pentyl acetate 218.67
    transcutol 817.5
    n-heptanol 275.9
    ethylbenzene 189.38
    MIBK 248.89
    2-propoxyethanol 618.96
    tert-butanol 653.19
    MTBE 439.63
    2-butoxyethanol 281.64
    propionic acid 348.48
    o-xylene 182.09
    formic acid 113.84
    diethyl ether 397.14
    m-xylene 197.91
    p-xylene 245.12
    chlorobenzene 333.16
    dimethyl carbonate 97.34
    n-octane 67.14
    formamide 98.24
    cyclopentanone 632.66
    2-pentanone 352.31
    anisole 251.77
    cyclopentyl methyl ether 493.51
    gamma-butyrolactone 593.02
    1-methoxy-2-propanol 370.01
    pyridine 488.51
    3-pentanone 249.67
    furfural 490.86
    n-dodecane 50.8
    diethylene glycol 310.3
    diisopropyl ether 161.2
    tert-amyl alcohol 550.03
    acetylacetone 284.28
    n-hexadecane 56.62
    acetophenone 231.96
    methyl propionate 220.56
    isopentyl acetate 420.87
    trichloroethylene 803.63
    n-nonanol 266.2
    cyclohexanol 613.52
    benzyl alcohol 234.13
    2-ethylhexanol 424.33
    isooctanol 214.14
    dipropyl ether 337.69
    1,2-dichlorobenzene 297.09
    ethyl lactate 139.04
    propylene carbonate 432.12
    n-methylformamide 221.18
    2-pentanol 420.52
    n-pentane 239.7
    1-propoxy-2-propanol 478.52
    1-methoxy-2-propyl acetate 322.18
    2-(2-methoxypropoxy) propanol 315.56
    mesitylene 148.4
    ε-caprolactone 544.17
    p-cymene 165.08
    epichlorohydrin 554.31
    1,1,1-trichloroethane 540.74
    2-aminoethanol 218.35
    morpholine-4-carbaldehyde 478.34
    sulfolane 605.68
    2,2,4-trimethylpentane 98.88
    2-methyltetrahydrofuran 771.23
    n-hexyl acetate 419.95
    isooctane 82.48
    2-(2-butoxyethoxy)ethanol 397.4
    sec-butyl acetate 172.43
    tert-butyl acetate 267.04
    decalin 142.37
    glycerin 194.99
    diglyme 532.01
    acrylic acid 272.18
    isopropyl myristate 177.04
    n-butyric acid 561.81
    acetyl acetate 187.92
    di(2-ethylhexyl) phthalate 174.8
    ethyl propionate 182.72
    nitromethane 380.47
    1,2-diethoxyethane 314.74
    benzonitrile 341.81
    trioctyl phosphate 133.44
    1-bromopropane 388.41
    gamma-valerolactone 696.69
    n-decanol 202.12
    triethyl phosphate 144.12
    4-methyl-2-pentanol 238.09
    propionitrile 333.62
    vinylene carbonate 349.51
    1,1,2-trichlorotrifluoroethane 442.81
    DMS 219.42
    cumene 153.72
    2-octanol 212.44
    2-hexanone 302.63
    octyl acetate 223.34
    limonene 269.69
    1,2-dimethoxyethane 512.13
    ethyl orthosilicate 148.49
    tributyl phosphate 157.73
    diacetone alcohol 319.85
    N,N-dimethylaniline 205.19
    acrylonitrile 299.55
    aniline 283.35
    1,3-propanediol 311.62
    bromobenzene 322.52
    dibromomethane 557.6
    1,1,2,2-tetrachloroethane 757.04
    2-methyl-cyclohexyl acetate 274.27
    tetrabutyl urea 201.81
    diisobutyl methanol 224.76
    2-phenylethanol 332.54
    styrene 204.74
    dioctyl adipate 232.94
    dimethyl sulfate 143.23
    ethyl butyrate 258.51
    methyl lactate 148.83
    butyl lactate 220.38
    diethyl carbonate 188.32
    propanediol butyl ether 337.52
    triethyl orthoformate 212.6
    p-tert-butyltoluene 164.31
    methyl 4-tert-butylbenzoate 259.91
    morpholine 780.43
    tert-butylamine 494.24
    n-dodecanol 159.65
    dimethoxymethane 278.54
    ethylene carbonate 304.13
    cyrene 242.79
    2-ethoxyethyl acetate 230.53
    2-ethylhexyl acetate 334.0
    1,2,4-trichlorobenzene 339.06
    4-methylpyridine 524.61
    dibutyl ether 304.79
    2,6-dimethyl-4-heptanol 224.76
    DEF 316.09
    dimethyl isosorbide 460.88
    tetrachloroethylene 472.23
    eugenol 246.55
    triacetin 284.29
    span 80 355.08
    1,4-butanediol 137.65
    1,1-dichloroethane 515.9
    2-methyl-1-pentanol 372.48
    methyl formate 180.41
    2-methyl-1-butanol 441.06
    n-decane 83.96
    butyronitrile 486.97
    3,7-dimethyl-1-octanol 292.92
    1-chlorooctane 212.09
    1-chlorotetradecane 100.42
    n-nonane 91.49
    undecane 63.39
    tert-butylcyclohexane 134.53
    cyclooctane 128.82
    cyclopentanol 524.05
    tetrahydropyran 875.56
    tert-amyl methyl ether 328.61
    2,5,8-trioxanonane 385.54
    1-hexene 527.72
    2-isopropoxyethanol 210.22
    2,2,2-trifluoroethanol 128.96
    methyl butyrate 273.31

    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

Botanical

Name CAS Botanical Proportion
Artemisia monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 0.5%
Tagetes (India) 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 15.1%
Tagetes (Hungary) 8016-84-0 Tagetes minuta L. (T. glandulifera Schrank), fam. Asteraceae (Compositae) 10.7%
Tagetes patula (Hungary) Tagetes patula L., fam. Asteraceae (Compositae) 7.0%
Tagetes tenuifolia (Hungary) Tagetes tenuifolia Cav. (T. signata Bartl.), fam. Asteraceae (Compositae) 25.4%
Lippia javanica (Kenya) Lippia javanica (Burm. f.) Spreng, fam. Verbenace 2.3%
Lippia dauensis (Kenya) Lippia dauensis (Chiov) Chiov, fam. Verbenaceae 3.3%
Basil (Italy) 2 var. hispidum Ocimum basilicum L. cultivar hispidum (Lam.) Chiov., fam. Lamiaceae 0.15%
Tagetes 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.07%
Tagetes (Argentina) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 9.44%
Tagetes argentina 1 (Argentina) Tagetes argentina Cabrera, fam. Asteraceae (Compositae) 1.87%
Tagetes argentina 2 (Argentina) Tagetes argentina Cabrera, fam. Asteraceae (Compositae) 1.3%
Tagetes argentina 3 (Argentina) Tagetes argentina Cabrera, fam. Asteraceae (Compositae) 2.1%
Tagetes laxa (Argentina) Tagetes laxa Cabrera, fam. Asteraceae (Compositae) 0.05%
Tagetes terniflora (Argentina) Tagetes terniflora H.B.K., fam. Asteraceae (Compositae) 0.05%
Tagetes (India) 4 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 5.13%
Tagetes (Argentina) 2a 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 6.0%
Tagetes (Argentina) 2b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 12.3%
Basil, var. hispidum (Somalia) Ocimum basilicum L. cultivar hispidum, fam. Lamiaceae (Labiatae) 0.15%
Tagetes riojana (Argentina) Tagetes riojana Ferraro, fam. Asteraceae (Compositae) 40.29%
Lippia multiflora leaf (Central African Repl.) Lippia multiflora s.l. Moldenke, fam. Verbenaceae 0.2%
Tagetes (Turkey) 8016-84-0 Tagetes minuta L. (T. glandulifera Schrank), fam. Asteraceae (Compositae) 4.8%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.02%
Tagetes (India) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.49%
Tagetes (Egypt) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 7.49%
Tagetes 3a (leaf) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 6.0%
Tagetes 3b (flower) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 19.1%
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 2.5%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.7%
Tagetes lemmonii Tagetes lemmonii Gray, fam. Asteraceae (Compositae) 16.1%
Tagetes (Cameroon) 1a leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 7.0%
Tagetes (Cameroon) 1b flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 3.4%
Tagetes filifolia (Peru) Tagetes filifolia Lag., fam. Asteraceae (Compositae) 0.01%
Tagetes (Zambia) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 6.3%
Tagetes (Ethiopia) 1a 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 4.7%
Tagetes (Ethiopia) 1b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 3.4%
Tagetes (Zimbabwe) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 2.5%
Tagetes patula (India) Tagetes patula L., fam. Asteraceae (Compositae) 4.4%
Tagetes (Argentina) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 2.0%
Tagetes 4 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.67%
Tagetes (Italy) 1a 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 9.43%
Tagetes (Italy) 1b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 2.81%
Tagetes (India) 6a whole plant 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.9%
Tagetes (India) 6b leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.5%
Tagetes (India) 6c flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.3%
Tagetes maxima (Bolivia) Tagetes maxima Kuntze, fam. Asteraceae (Compositae) 1.8%