2,6-Dimethyloct-7-en-4-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1879-00-1

    Molecular formula
    C10H18O

    SMILES
    CC(C)CC(=O)CC(C)C=C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1053.5
    • Carbowax: 1283.0

  • Odor profile

    Fruity 77.87%
    Green 61.76%
    Herbal 57.98%
    Sweet 39.14%
    Fresh 35.54%
    Mint 32.27%
    Earthy 30.67%
    Spicy 30.06%
    Woody 29.58%
    Citrus 29.43%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point est.
    62.13 ˚C

  • Synonyms

    • Dihydro Tagetone
    • 2,6-Dimethyloct-7-en-4-one
    • 1879-00-1
    • Dihydrotagetone
    • 7-Octen-4-one, 2,6-dimethyl-
    • 2,6-Dimethyl-7-octen-4-one
    • EINECS 217-532-6
    • DTXSID70883766
    • UKV937XSR8
    • SCHEMBL6903513
    • DTXCID101023256
    • AKOS017341560
    • DB-239581
    • NS00046616
    • Q67879926
    • 217-532-6

  • Applications

    2,6-Dimethyloct-7-en-4-one is a linear alkenyl ketone valued in fragrance and synthetic chemistry: employed as an ingredient or intermediate to build fresh green–citrus/woody facets in perfumes, detergents, and air-care; used as a versatile building block for terpenoid aroma chemicals and for pharma/agro intermediates, as its combination of a carbonyl and terminal double bond enables selective transformations (reduction to secondary alcohols, reductive amination to amino derivatives, epoxidation or hydroboration–oxidation, hydroformylation at the alkene, ozonolysis cleavage, cross-metathesis to extend the carbon framework, acetal/ketal formation for pro-fragrances); it also serves as a GC–MS reference/calibration standard for monoterpenoid ketones and as a model substrate to develop redox and asymmetric catalysis with transition metals or biocatalysts.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1104.7
    methanol 1304.03
    isopropanol 1066.48
    water 2.3
    ethyl acetate 422.35
    n-propanol 949.23
    acetone 656.95
    n-butanol 1043.95
    acetonitrile 535.84
    DMF 628.32
    toluene 307.44
    isobutanol 824.37
    1,4-dioxane 1003.19
    methyl acetate 371.43
    THF 1488.47
    2-butanone 531.57
    n-pentanol 713.38
    sec-butanol 936.53
    n-hexane 596.89
    ethylene glycol 179.94
    NMP 724.05
    cyclohexane 640.22
    DMSO 454.43
    n-butyl acetate 672.05
    n-octanol 494.26
    chloroform 1787.48
    n-propyl acetate 302.67
    acetic acid 794.78
    dichloromethane 956.26
    cyclohexanone 1138.6
    propylene glycol 354.11
    isopropyl acetate 304.48
    DMAc 504.4
    2-ethoxyethanol 411.41
    isopentanol 855.87
    n-heptane 352.04
    ethyl formate 348.17
    1,2-dichloroethane 534.95
    n-hexanol 1370.37
    2-methoxyethanol 732.51
    isobutyl acetate 269.89
    tetrachloromethane 350.15
    n-pentyl acetate 351.32
    transcutol 1283.84
    n-heptanol 468.15
    ethylbenzene 238.82
    MIBK 365.11
    2-propoxyethanol 961.19
    tert-butanol 1186.95
    MTBE 727.92
    2-butoxyethanol 462.05
    propionic acid 599.07
    o-xylene 232.13
    formic acid 214.76
    diethyl ether 665.44
    m-xylene 246.43
    p-xylene 322.37
    chlorobenzene 453.73
    dimethyl carbonate 111.19
    n-octane 100.29
    formamide 156.47
    cyclopentanone 875.28
    2-pentanone 512.57
    anisole 322.78
    cyclopentyl methyl ether 697.18
    gamma-butyrolactone 805.08
    1-methoxy-2-propanol 590.85
    pyridine 666.64
    3-pentanone 332.57
    furfural 700.34
    n-dodecane 69.65
    diethylene glycol 506.28
    diisopropyl ether 250.39
    tert-amyl alcohol 908.65
    acetylacetone 378.2
    n-hexadecane 77.34
    acetophenone 296.7
    methyl propionate 284.55
    isopentyl acetate 642.68
    trichloroethylene 1066.67
    n-nonanol 406.37
    cyclohexanol 1068.08
    benzyl alcohol 320.61
    2-ethylhexanol 694.05
    isooctanol 355.51
    dipropyl ether 521.94
    1,2-dichlorobenzene 385.86
    ethyl lactate 188.26
    propylene carbonate 581.48
    n-methylformamide 321.7
    2-pentanol 723.06
    n-pentane 410.43
    1-propoxy-2-propanol 753.62
    1-methoxy-2-propyl acetate 438.06
    2-(2-methoxypropoxy) propanol 437.52
    mesitylene 188.12
    ε-caprolactone 803.99
    p-cymene 223.21
    epichlorohydrin 761.03
    1,1,1-trichloroethane 753.11
    2-aminoethanol 421.08
    morpholine-4-carbaldehyde 654.61
    sulfolane 803.62
    2,2,4-trimethylpentane 145.63
    2-methyltetrahydrofuran 1101.18
    n-hexyl acetate 614.91
    isooctane 122.28
    2-(2-butoxyethoxy)ethanol 582.64
    sec-butyl acetate 244.98
    tert-butyl acetate 387.15
    decalin 201.23
    glycerin 352.39
    diglyme 782.81
    acrylic acid 440.56
    isopropyl myristate 247.16
    n-butyric acid 967.81
    acetyl acetate 263.69
    di(2-ethylhexyl) phthalate 236.76
    ethyl propionate 236.73
    nitromethane 591.55
    1,2-diethoxyethane 454.48
    benzonitrile 478.46
    trioctyl phosphate 187.63
    1-bromopropane 565.31
    gamma-valerolactone 997.32
    n-decanol 296.63
    triethyl phosphate 188.43
    4-methyl-2-pentanol 403.93
    propionitrile 522.09
    vinylene carbonate 474.16
    1,1,2-trichlorotrifluoroethane 649.64
    DMS 276.63
    cumene 197.13
    2-octanol 341.04
    2-hexanone 451.74
    octyl acetate 313.39
    limonene 385.24
    1,2-dimethoxyethane 765.15
    ethyl orthosilicate 197.49
    tributyl phosphate 220.56
    diacetone alcohol 452.25
    N,N-dimethylaniline 257.28
    acrylonitrile 446.5
    aniline 384.95
    1,3-propanediol 590.58
    bromobenzene 429.28
    dibromomethane 810.21
    1,1,2,2-tetrachloroethane 1059.18
    2-methyl-cyclohexyl acetate 383.24
    tetrabutyl urea 268.54
    diisobutyl methanol 343.73
    2-phenylethanol 467.05
    styrene 258.94
    dioctyl adipate 312.08
    dimethyl sulfate 169.81
    ethyl butyrate 357.42
    methyl lactate 206.67
    butyl lactate 325.58
    diethyl carbonate 240.15
    propanediol butyl ether 534.19
    triethyl orthoformate 298.15
    p-tert-butyltoluene 220.58
    methyl 4-tert-butylbenzoate 347.01
    morpholine 1165.57
    tert-butylamine 903.43
    n-dodecanol 224.88
    dimethoxymethane 342.44
    ethylene carbonate 422.66
    cyrene 319.57
    2-ethoxyethyl acetate 338.9
    2-ethylhexyl acetate 496.83
    1,2,4-trichlorobenzene 451.75
    4-methylpyridine 700.66
    dibutyl ether 471.88
    2,6-dimethyl-4-heptanol 343.73
    DEF 437.26
    dimethyl isosorbide 606.39
    tetrachloroethylene 695.92
    eugenol 324.05
    triacetin 401.13
    span 80 509.09
    1,4-butanediol 249.78
    1,1-dichloroethane 752.1
    2-methyl-1-pentanol 616.71
    methyl formate 244.86
    2-methyl-1-butanol 785.58
    n-decane 123.5
    butyronitrile 783.12
    3,7-dimethyl-1-octanol 441.46
    1-chlorooctane 314.63
    1-chlorotetradecane 136.28
    n-nonane 138.92
    undecane 88.79
    tert-butylcyclohexane 192.02
    cyclooctane 191.44
    cyclopentanol 877.55
    tetrahydropyran 1333.68
    tert-amyl methyl ether 505.69
    2,5,8-trioxanonane 538.8
    1-hexene 834.8
    2-isopropoxyethanol 340.67
    2,2,2-trifluoroethanol 211.63
    methyl butyrate 369.57

    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
Lippia javanica (Kenya) Lippia javanica (Burm. f.) Spreng, fam. Verbenace 1.8%
Lippia dauensis (Kenya) Lippia dauensis (Chiov) Chiov, fam. Verbenaceae 6.8%
Basil (Italy) 2 var. hispidum Ocimum basilicum L. cultivar hispidum (Lam.) Chiov., fam. Lamiaceae 82.27%
Tagetes 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 17.64%
Tagetes argentina 1 (Argentina) Tagetes argentina Cabrera, fam. Asteraceae (Compositae) 6.57%
Tagetes argentina 2 (Argentina) Tagetes argentina Cabrera, fam. Asteraceae (Compositae) 3.82%
Tagetes laxa (Argentina) Tagetes laxa Cabrera, fam. Asteraceae (Compositae) 6.2%
Tagetes terniflora (Argentina) Tagetes terniflora H.B.K., fam. Asteraceae (Compositae) 3.2%
Tagetes filifolia (Argentina) 1 Tagetes filifolia Lag., fam. Asteraceae (Compositae) 1.0%
Tagetes (India) 5 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 48.09%
Tagetes (India) 4 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 11.9%
Tagetes (Argentina) 2a 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Tagetes (Argentina) 2b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Tagetes filifolia (Argentina) 2 Tagetes filifolia Lag., fam. Asteraceae (Compositae) 0.9%
Basil, var. hispidum (Somalia) Ocimum basilicum L. cultivar hispidum, fam. Lamiaceae (Labiatae) 82.27%
Tagetes riojana (Argentina) Tagetes riojana Ferraro, fam. Asteraceae (Compositae) 15.44%
Tagetes (Turkey) 8016-84-0 Tagetes minuta L. (T. glandulifera Schrank), fam. Asteraceae (Compositae) 30.3%
Tagetes (India) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 15.43%
Tagetes (Egypt) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 47.05%
Tagetes (USA) 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 4.4%
Tagetes 3a (leaf) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 47.5%
Tagetes 3b (flower) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 13.5%
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 3.0%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.5%
Tagetes lemmonii Tagetes lemmonii Gray, fam. Asteraceae (Compositae) 42.52%
Tagetes (Cameroon) 1a leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 7.1%
Tagetes (Cameroon) 1b flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 3.3%
Eremocharis triradiata Eremocharis triradiata (Wolff.) Johnston, fam. Apiaceae (Umbelliferae) 0.6%
Tagetes filifolia (Peru) Tagetes filifolia Lag., fam. Asteraceae (Compositae) 0.01%
Tagetes (Zambia) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 30.0%
Tagetes (Ethiopia) 1a 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.6%
Tagetes (Ethiopia) 1b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.05%
Tagetes (Zimbabwe) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 30.0%
Tagetes (Argentina) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 45.0%
Tagetes 4 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 17.74%
Tagetes (Italy) 1a 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 3.84%
Tagetes (Italy) 1b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 5.19%
Tagetes (India) 6a whole plant 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 48.7%
Tagetes (India) 6b leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 61.8%
Tagetes (India) 6c flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 44.1%
Tagetes maxima (Bolivia) Tagetes maxima Kuntze, fam. Asteraceae (Compositae) 7.7%