Davanone D

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    20482-11-5

    Molecular formula
    C15H24O2

    SMILES
    C[C@@H]([C@@H]1CC[C@](O1)(C)C=C)C(=O)CC=C(C)C

    Retention indicies (RI)

    • DB5: 1717.0

  • Odor profile

    Floral 66.25%
    Sweet 56.33%
    Fresh 45.75%
    Woody 42.66%
    Fruity 40.43%
    Citrus 40.04%
    Herbal 36.96%
    Rose 32.64%
    Mint 32.22%
    Natural 28.84%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point est.
    117.1 ˚C

  • Synonyms

    • Davanone D
    • Davadone D
    • (+)-Davanone D
    • 20482-11-5
    • DTXSID70174449
    • 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-, (+)-
    • MEGxp0_001579
    • DTXCID4096940
    • ACon0_000084
    • ACon1_001276
    • NCGC00169508-01
    • DB-310385
    • NS00094768
    • (S)-2-[(2s,5r)-5-methyl -5-ethenyltetrahydrofuran-2-yl ]-6-methyl -5-heptene-3-one

  • Applications

    Davanone D (CAS 20482-11-5) is an odor-active sesquiterpene ketone found in davana essential oil, with key applications in fragrance and flavor: at very low dosage it imparts ripe apricot–plum, sweet wine, honey and herbal facets and functions as a soft fixative to enhance diffusion and longevity in fine fragrances, personal care, scented candles and premium cleaners; in flavors it rounds fruity, caramel/gourmand, baked-goods and alcoholic beverage profiles at ppm levels; in analytics and quality control it serves as a reference/marker for GC–MS qualitative–quantitative assessment of davana oil and Artemisia species, supporting authenticity and adulteration screening; in research it is a chiral sesquiterpene scaffold for synthesis and a lead for preclinical bioactivity screening (antimicrobial, antioxidant, anti-inflammatory, insect-repellent); in agriculture and storage, davanone-type compounds are explored as selective repellents/attractants for pest monitoring; from a formulation and handling standpoint it blends well with citrus, lactonic, ambery and woody themes, has a low odor threshold requiring cautious dosing, is lipophilic and soluble in ethanol/organic solvents, and is prone to oxidation/light so should be stored tightly closed, protected from light and metal catalysts, ideally under inert gas; use should comply with applicable safety regulations (e.g., IFRA guidance for fragrances and local food safety standards).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 990.81
    methanol 831.16
    isopropanol 1056.74
    water 2.15
    ethyl acetate 1103.15
    n-propanol 836.16
    acetone 733.48
    n-butanol 905.15
    acetonitrile 591.57
    DMF 756.54
    toluene 909.1
    isobutanol 731.46
    1,4-dioxane 1601.79
    methyl acetate 882.17
    THF 1574.3
    2-butanone 893.93
    n-pentanol 676.15
    sec-butanol 952.69
    n-hexane 126.66
    ethylene glycol 128.96
    NMP 658.3
    cyclohexane 241.29
    DMSO 625.73
    n-butyl acetate 784.08
    n-octanol 368.04
    chloroform 3631.97
    n-propyl acetate 616.07
    acetic acid 567.78
    dichloromethane 2438.63
    cyclohexanone 1060.63
    propylene glycol 328.03
    isopropyl acetate 839.78
    DMAc 1180.96
    2-ethoxyethanol 721.77
    isopentanol 929.97
    n-heptane 66.76
    ethyl formate 514.86
    1,2-dichloroethane 1137.55
    n-hexanol 822.59
    2-methoxyethanol 924.16
    isobutyl acetate 545.97
    tetrachloromethane 507.99
    n-pentyl acetate 459.4
    transcutol 2458.47
    n-heptanol 328.85
    ethylbenzene 508.89
    MIBK 582.14
    2-propoxyethanol 1003.47
    tert-butanol 1188.02
    MTBE 1173.38
    2-butoxyethanol 547.79
    propionic acid 522.91
    o-xylene 515.47
    formic acid 186.35
    diethyl ether 902.16
    m-xylene 572.59
    p-xylene 686.56
    chlorobenzene 903.14
    dimethyl carbonate 306.23
    n-octane 30.93
    formamide 265.48
    cyclopentanone 850.81
    2-pentanone 719.8
    anisole 852.25
    cyclopentyl methyl ether 778.03
    gamma-butyrolactone 878.6
    1-methoxy-2-propanol 873.48
    pyridine 1107.21
    3-pentanone 569.91
    furfural 952.49
    n-dodecane 31.95
    diethylene glycol 619.69
    diisopropyl ether 348.72
    tert-amyl alcohol 1009.94
    acetylacetone 802.88
    n-hexadecane 37.92
    acetophenone 689.19
    methyl propionate 641.13
    isopentyl acetate 794.72
    trichloroethylene 2299.09
    n-nonanol 335.59
    cyclohexanol 799.9
    benzyl alcohol 628.95
    2-ethylhexanol 449.98
    isooctanol 284.04
    dipropyl ether 387.64
    1,2-dichlorobenzene 832.83
    ethyl lactate 304.15
    propylene carbonate 724.66
    n-methylformamide 347.01
    2-pentanol 749.78
    n-pentane 117.23
    1-propoxy-2-propanol 735.69
    1-methoxy-2-propyl acetate 801.04
    2-(2-methoxypropoxy) propanol 614.59
    mesitylene 346.1
    ε-caprolactone 1072.9
    p-cymene 255.86
    epichlorohydrin 1267.11
    1,1,1-trichloroethane 1497.75
    2-aminoethanol 352.11
    morpholine-4-carbaldehyde 1040.99
    sulfolane 770.83
    2,2,4-trimethylpentane 91.11
    2-methyltetrahydrofuran 1344.84
    n-hexyl acetate 747.42
    isooctane 70.71
    2-(2-butoxyethoxy)ethanol 830.19
    sec-butyl acetate 589.03
    tert-butyl acetate 757.28
    decalin 133.57
    glycerin 347.79
    diglyme 1338.8
    acrylic acid 384.43
    isopropyl myristate 289.69
    n-butyric acid 870.58
    acetyl acetate 720.37
    di(2-ethylhexyl) phthalate 281.56
    ethyl propionate 543.1
    nitromethane 683.58
    1,2-diethoxyethane 898.44
    benzonitrile 781.67
    trioctyl phosphate 183.03
    1-bromopropane 935.47
    gamma-valerolactone 1184.94
    n-decanol 236.64
    triethyl phosphate 257.33
    4-methyl-2-pentanol 485.66
    propionitrile 606.26
    vinylene carbonate 694.96
    1,1,2-trichlorotrifluoroethane 904.92
    DMS 557.08
    cumene 345.09
    2-octanol 256.8
    2-hexanone 602.69
    octyl acetate 349.22
    limonene 340.09
    1,2-dimethoxyethane 1145.48
    ethyl orthosilicate 268.0
    tributyl phosphate 247.93
    diacetone alcohol 694.44
    N,N-dimethylaniline 538.56
    acrylonitrile 544.33
    aniline 827.38
    1,3-propanediol 573.45
    bromobenzene 1025.38
    dibromomethane 1649.45
    1,1,2,2-tetrachloroethane 2019.79
    2-methyl-cyclohexyl acetate 479.06
    tetrabutyl urea 272.51
    diisobutyl methanol 250.91
    2-phenylethanol 661.06
    styrene 625.59
    dioctyl adipate 379.18
    dimethyl sulfate 361.5
    ethyl butyrate 523.13
    methyl lactate 338.91
    butyl lactate 364.52
    diethyl carbonate 399.28
    propanediol butyl ether 570.96
    triethyl orthoformate 377.47
    p-tert-butyltoluene 237.9
    methyl 4-tert-butylbenzoate 503.64
    morpholine 1677.32
    tert-butylamine 854.63
    n-dodecanol 177.48
    dimethoxymethane 683.58
    ethylene carbonate 619.0
    cyrene 465.83
    2-ethoxyethyl acetate 635.05
    2-ethylhexyl acetate 623.4
    1,2,4-trichlorobenzene 972.76
    4-methylpyridine 1340.91
    dibutyl ether 435.37
    2,6-dimethyl-4-heptanol 250.91
    DEF 744.32
    dimethyl isosorbide 843.69
    tetrachloroethylene 1185.84
    eugenol 493.02
    triacetin 664.16
    span 80 490.62
    1,4-butanediol 273.68
    1,1-dichloroethane 1581.12
    2-methyl-1-pentanol 682.99
    methyl formate 278.26
    2-methyl-1-butanol 819.82
    n-decane 54.55
    butyronitrile 744.99
    3,7-dimethyl-1-octanol 432.9
    1-chlorooctane 250.96
    1-chlorotetradecane 103.89
    n-nonane 48.86
    undecane 39.86
    tert-butylcyclohexane 127.38
    cyclooctane 78.38
    cyclopentanol 618.65
    tetrahydropyran 1474.51
    tert-amyl methyl ether 808.86
    2,5,8-trioxanonane 871.2
    1-hexene 440.64
    2-isopropoxyethanol 595.77
    2,2,2-trifluoroethanol 239.84
    methyl butyrate 696.71

    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
Davana (India) 1 8016-03-3 Artemisia pallens Wall. ex DC., fam. Asteraceae (Compositae) 3.0%
Davana 2 8016-03-3 Artemisia pallens Wall. ex DC., fam. Asteraceae (Compositae) 3.5%
Porophyllum ruderale (Brazil) 1b root Porophyllum ruderale Sass, fam. Asteraceae (Compositae) 22.7%
Armoise (Spain) ssp. valentina 8008-93-3 Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl., fam. Asteraceae 0.01%