7(14)-Isodaucen-10-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    73809-82-2

    Molecular formula
    C15H24O

    SMILES
    CC(C)[C@@H]1CC[C@@]2([C@H]1CC(=C)CCC2=O)C

    Retention indicies (RI)

    • DB5: 1584.0
    • Carbowax: 1995.0

  • Odor profile

    Woody 71.43%
    Herbal 66.16%
    Green 54.53%
    Fresh 52.81%
    Mint 51.06%
    Spicy 49.89%
    Camphoreous 45.84%
    Fruity 38.64%
    Citrus 37.12%
    Earthy 35.0%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.26 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point est.
    97.58 ˚C

  • Synonyms

    • Salvial-4(14)-en-1-one
    • Mintketone
    • BDR15C4EYD
    • 4(14)-Salvialene-1-one
    • UNII-BDR15C4EYD
    • 73809-82-2
    • 7(14)-Isodaucen-10-one
    • (1S,3aR,8aS)-3a-Methyl-7-methylidene-1-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-azulen-4-one
    • 4(1H)-Azulenone, octahydro-3a-methyl-7-methylene-1-(1-methylethyl)-, (1S,3aR,8aS)-
    • JBOONPKUPONSIB-KCQAQPDRSA-N
    • DTXSID901314423
    • LMPR0103560001
    • Q67880170

  • Applications

    7(14)-Isodaucen-10-one (CAS 73809-82-2) is a rare sesquiterpene ketone found in certain plant essential oils; it is used as an experimental fragrance/flavor ingredient imparting woody–herbal–earthy nuances, as an analytical reference/marker in GC–MS for identification, authentication, and retention index/spectral library building of essential oils (notably from Apiaceae such as carrot seed oil), as a semisynthetic intermediate to generate derivatives for structure–odor relationship studies and odor stability optimization, and it has been investigated in early-stage assays for activities typical of sesquiterpene ketones (e.g., antimicrobial, antioxidant, insect-related effects); it also serves as a probe for studies of natural biosynthesis and plant chemotaxonomy.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1470.57
    methanol 1199.96
    isopropanol 2021.18
    water 2.43
    ethyl acetate 1623.09
    n-propanol 1473.8
    acetone 2077.92
    n-butanol 1449.29
    acetonitrile 1982.35
    DMF 2176.31
    toluene 2234.97
    isobutanol 1254.63
    1,4-dioxane 3477.23
    methyl acetate 1573.53
    THF 4762.98
    2-butanone 2131.68
    n-pentanol 600.7
    sec-butanol 1143.26
    n-hexane 70.57
    ethylene glycol 126.84
    NMP 1244.38
    cyclohexane 320.89
    DMSO 901.25
    n-butyl acetate 1472.92
    n-octanol 443.2
    chloroform 6187.48
    n-propyl acetate 948.42
    acetic acid 699.76
    dichloromethane 4820.49
    cyclohexanone 2866.63
    propylene glycol 246.5
    isopropyl acetate 1233.04
    DMAc 1277.54
    2-ethoxyethanol 724.92
    isopentanol 1198.7
    n-heptane 90.25
    ethyl formate 1280.07
    1,2-dichloroethane 2420.04
    n-hexanol 973.85
    2-methoxyethanol 1415.96
    isobutyl acetate 704.41
    tetrachloromethane 934.66
    n-pentyl acetate 879.24
    transcutol 2160.7
    n-heptanol 469.47
    ethylbenzene 778.33
    MIBK 994.75
    2-propoxyethanol 1295.62
    tert-butanol 1719.73
    MTBE 1533.45
    2-butoxyethanol 801.57
    propionic acid 792.99
    o-xylene 1013.71
    formic acid 174.77
    diethyl ether 1343.8
    m-xylene 1251.91
    p-xylene 1112.9
    chlorobenzene 2131.95
    dimethyl carbonate 543.46
    n-octane 47.12
    formamide 388.19
    cyclopentanone 3143.0
    2-pentanone 1508.19
    anisole 1303.39
    cyclopentyl methyl ether 1376.16
    gamma-butyrolactone 2814.09
    1-methoxy-2-propanol 1283.65
    pyridine 3572.82
    3-pentanone 1026.45
    furfural 2351.97
    n-dodecane 42.57
    diethylene glycol 704.76
    diisopropyl ether 451.72
    tert-amyl alcohol 938.23
    acetylacetone 1590.79
    n-hexadecane 52.91
    acetophenone 1057.98
    methyl propionate 1051.28
    isopentyl acetate 1325.79
    trichloroethylene 4522.1
    n-nonanol 391.62
    cyclohexanol 1249.31
    benzyl alcohol 1003.19
    2-ethylhexanol 550.65
    isooctanol 403.36
    dipropyl ether 615.06
    1,2-dichlorobenzene 1560.54
    ethyl lactate 359.67
    propylene carbonate 1711.12
    n-methylformamide 1033.5
    2-pentanol 869.56
    n-pentane 117.57
    1-propoxy-2-propanol 1034.3
    1-methoxy-2-propyl acetate 1129.01
    2-(2-methoxypropoxy) propanol 635.87
    mesitylene 733.38
    ε-caprolactone 2129.6
    p-cymene 520.86
    epichlorohydrin 3216.43
    1,1,1-trichloroethane 2902.49
    2-aminoethanol 390.1
    morpholine-4-carbaldehyde 1792.25
    sulfolane 1692.72
    2,2,4-trimethylpentane 75.55
    2-methyltetrahydrofuran 2671.05
    n-hexyl acetate 1070.67
    isooctane 80.6
    2-(2-butoxyethoxy)ethanol 889.06
    sec-butyl acetate 683.99
    tert-butyl acetate 1157.83
    decalin 131.06
    glycerin 288.89
    diglyme 1766.53
    acrylic acid 584.04
    isopropyl myristate 425.7
    n-butyric acid 1463.87
    acetyl acetate 1049.52
    di(2-ethylhexyl) phthalate 392.81
    ethyl propionate 790.53
    nitromethane 1545.76
    1,2-diethoxyethane 1168.44
    benzonitrile 2029.52
    trioctyl phosphate 268.09
    1-bromopropane 1555.33
    gamma-valerolactone 3187.71
    n-decanol 280.43
    triethyl phosphate 341.26
    4-methyl-2-pentanol 550.13
    propionitrile 1814.38
    vinylene carbonate 1786.6
    1,1,2-trichlorotrifluoroethane 1249.16
    DMS 800.55
    cumene 495.63
    2-octanol 354.68
    2-hexanone 865.38
    octyl acetate 490.21
    limonene 604.74
    1,2-dimethoxyethane 1628.46
    ethyl orthosilicate 334.6
    tributyl phosphate 323.75
    diacetone alcohol 907.98
    N,N-dimethylaniline 711.82
    acrylonitrile 1900.22
    aniline 1708.67
    1,3-propanediol 840.67
    bromobenzene 2366.92
    dibromomethane 2907.06
    1,1,2,2-tetrachloroethane 3119.45
    2-methyl-cyclohexyl acetate 647.8
    tetrabutyl urea 393.21
    diisobutyl methanol 392.77
    2-phenylethanol 1065.3
    styrene 1007.17
    dioctyl adipate 530.29
    dimethyl sulfate 584.45
    ethyl butyrate 933.02
    methyl lactate 452.13
    butyl lactate 543.47
    diethyl carbonate 616.29
    propanediol butyl ether 627.37
    triethyl orthoformate 562.45
    p-tert-butyltoluene 495.93
    methyl 4-tert-butylbenzoate 788.41
    morpholine 3379.42
    tert-butylamine 1083.3
    n-dodecanol 211.59
    dimethoxymethane 1438.84
    ethylene carbonate 1544.47
    cyrene 599.78
    2-ethoxyethyl acetate 1070.13
    2-ethylhexyl acetate 968.73
    1,2,4-trichlorobenzene 1663.48
    4-methylpyridine 3600.02
    dibutyl ether 594.09
    2,6-dimethyl-4-heptanol 392.77
    DEF 1197.27
    dimethyl isosorbide 1220.61
    tetrachloroethylene 1882.39
    eugenol 695.9
    triacetin 807.72
    span 80 577.39
    1,4-butanediol 257.78
    1,1-dichloroethane 3150.67
    2-methyl-1-pentanol 584.91
    methyl formate 878.28
    2-methyl-1-butanol 939.28
    n-decane 72.39
    butyronitrile 2064.22
    3,7-dimethyl-1-octanol 495.14
    1-chlorooctane 347.99
    1-chlorotetradecane 139.21
    n-nonane 65.82
    undecane 54.21
    tert-butylcyclohexane 116.61
    cyclooctane 87.81
    cyclopentanol 1313.03
    tetrahydropyran 3430.13
    tert-amyl methyl ether 692.71
    2,5,8-trioxanonane 1026.78
    1-hexene 339.47
    2-isopropoxyethanol 591.22
    2,2,2-trifluoroethanol 322.74
    methyl butyrate 1055.53

    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
Clary sage 1 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Clary sage leaf 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Clary sage flower 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.31%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Hyssop (Montenegro) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.04%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.9%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.01%
Amorpha fruticosa flower Amorpha fruticosa L., fam. Papilionaceae 0.1%
Amorpha fruticosa leaf Amorpha fruticosa L., fam. Papilionaceae 0.05%
Amorpha fruticosa fruit Amorpha fruticosa L., fam. Papilionaceae 0.05%
Solidago gigantea Solidago gigantea Ait., fam. Asteraceae (Compositae) 0.1%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.01%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 1.1%
Argyranthemum adauctum ssp. erythrocarpon Argyranthemum adauctum ssp. erythrocarpon Humphries, fam. Asteraceae 1.2%