Vulgarone A

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  • Identifiers

    CAS number
    62065-10-5

    Molecular formula
    C15H22O

    SMILES
    CC1=CC2C3C(=O)C1C3(CCCC2(C)C)C

  • Odor profile

    Woody 77.51%
    Spicy 48.52%
    Cedar 47.63%
    Amber 43.87%
    Dry 40.62%
    Fruity 40.51%
    Tobacco 35.55%
    Camphoreous 32.67%
    Earthy 31.45%
    Herbal 30.37%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    291°C

    Flash point est.
    101.33 ˚C

  • Synonyms

    • Vulgarone A
    • 62065-10-5
    • CHEBI:167999
    • DTXSID401318151
    • 2,6,6,9-tetramethyltricyclo[5.4.0.02,10]undec-8-en-11-one

  • Applications

    Vulgarone A (CAS 62065-10-5) is a natural monoterpene ketone found in the essential oils of several Artemisia species and is investigated as a bioactive constituent for eco-friendly crop protection; studies commonly assess its insect-repellent and insecticidal properties (notably against agricultural and stored-product pests), contact and fumigant toxicity, and in vitro acetylcholinesterase inhibition, supporting its role as a lead for botanical pesticide formulations, synergists with other terpenes, and advanced delivery systems (nanoemulsions, microencapsulation) to mitigate volatility; it is also explored for antifungal and antibacterial activity relevant to spoilage molds and plant pathogens, for allelopathic/seed germination inhibition as a potential bioherbicide, and it serves as a GC–MS fingerprint marker/reference standard in the quality control of Artemisia oils and chemotaxonomic studies; due to its volatility and sensitivity to oxygen/light, practical use typically relies on suitable packaging and formulation strategies, and because it is not widely approved as a commercial product, any application should follow local regulations and does not replace authorized preparations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.3
    methanol 184.45
    isopropanol 168.9
    water 2.11
    ethyl acetate 291.07
    n-propanol 172.89
    acetone 381.47
    n-butanol 172.42
    acetonitrile 252.31
    DMF 516.27
    toluene 348.47
    isobutanol 145.66
    1,4-dioxane 603.83
    methyl acetate 305.75
    THF 1010.86
    2-butanone 354.71
    n-pentanol 104.0
    sec-butanol 137.56
    n-hexane 24.01
    ethylene glycol 78.26
    NMP 376.48
    cyclohexane 57.03
    DMSO 273.75
    n-butyl acetate 185.38
    n-octanol 105.54
    chloroform 824.36
    n-propyl acetate 145.4
    acetic acid 127.39
    dichloromethane 587.96
    cyclohexanone 516.95
    propylene glycol 82.54
    isopropyl acetate 207.86
    DMAc 317.59
    2-ethoxyethanol 156.92
    isopentanol 150.39
    n-heptane 23.94
    ethyl formate 185.0
    1,2-dichloroethane 424.52
    n-hexanol 192.79
    2-methoxyethanol 318.04
    isobutyl acetate 122.67
    tetrachloromethane 136.01
    n-pentyl acetate 162.01
    transcutol 300.21
    n-heptanol 116.58
    ethylbenzene 147.79
    MIBK 207.9
    2-propoxyethanol 333.35
    tert-butanol 175.94
    MTBE 197.19
    2-butoxyethanol 208.56
    propionic acid 157.35
    o-xylene 187.3
    formic acid 63.13
    diethyl ether 241.61
    m-xylene 247.6
    p-xylene 173.22
    chlorobenzene 324.66
    dimethyl carbonate 185.75
    n-octane 15.96
    formamide 100.29
    cyclopentanone 706.62
    2-pentanone 306.3
    anisole 229.92
    cyclopentyl methyl ether 409.55
    gamma-butyrolactone 651.94
    1-methoxy-2-propanol 285.06
    pyridine 486.15
    3-pentanone 251.93
    furfural 471.29
    n-dodecane 13.48
    diethylene glycol 237.94
    diisopropyl ether 97.49
    tert-amyl alcohol 128.95
    acetylacetone 339.31
    n-hexadecane 16.15
    acetophenone 198.65
    methyl propionate 279.15
    isopentyl acetate 185.01
    trichloroethylene 713.04
    n-nonanol 95.03
    cyclohexanol 204.68
    benzyl alcohol 168.4
    2-ethylhexanol 110.17
    isooctanol 95.33
    dipropyl ether 123.07
    1,2-dichlorobenzene 282.58
    ethyl lactate 113.38
    propylene carbonate 330.72
    n-methylformamide 251.98
    2-pentanol 130.46
    n-pentane 32.76
    1-propoxy-2-propanol 215.87
    1-methoxy-2-propyl acetate 256.44
    2-(2-methoxypropoxy) propanol 150.94
    mesitylene 147.49
    ε-caprolactone 377.13
    p-cymene 92.08
    epichlorohydrin 686.95
    1,1,1-trichloroethane 395.04
    2-aminoethanol 110.16
    morpholine-4-carbaldehyde 461.54
    sulfolane 510.41
    2,2,4-trimethylpentane 18.63
    2-methyltetrahydrofuran 494.42
    n-hexyl acetate 221.6
    isooctane 20.19
    2-(2-butoxyethoxy)ethanol 192.48
    sec-butyl acetate 121.38
    tert-butyl acetate 208.92
    decalin 32.86
    glycerin 126.96
    diglyme 355.09
    acrylic acid 153.84
    isopropyl myristate 91.43
    n-butyric acid 198.83
    acetyl acetate 214.59
    di(2-ethylhexyl) phthalate 95.35
    ethyl propionate 163.22
    nitromethane 324.1
    1,2-diethoxyethane 147.62
    benzonitrile 258.5
    trioctyl phosphate 74.46
    1-bromopropane 261.44
    gamma-valerolactone 719.12
    n-decanol 72.48
    triethyl phosphate 82.81
    4-methyl-2-pentanol 99.65
    propionitrile 270.6
    vinylene carbonate 332.45
    1,1,2-trichlorotrifluoroethane 321.91
    DMS 236.27
    cumene 102.32
    2-octanol 86.9
    2-hexanone 160.71
    octyl acetate 112.2
    limonene 107.83
    1,2-dimethoxyethane 276.58
    ethyl orthosilicate 80.14
    tributyl phosphate 78.61
    diacetone alcohol 211.84
    N,N-dimethylaniline 145.76
    acrylonitrile 320.26
    aniline 256.52
    1,3-propanediol 161.47
    bromobenzene 350.52
    dibromomethane 410.8
    1,1,2,2-tetrachloroethane 534.4
    2-methyl-cyclohexyl acetate 133.54
    tetrabutyl urea 98.24
    diisobutyl methanol 74.44
    2-phenylethanol 218.9
    styrene 156.61
    dioctyl adipate 105.08
    dimethyl sulfate 259.32
    ethyl butyrate 137.72
    methyl lactate 165.33
    butyl lactate 128.89
    diethyl carbonate 102.7
    propanediol butyl ether 165.69
    triethyl orthoformate 104.91
    p-tert-butyltoluene 92.79
    methyl 4-tert-butylbenzoate 199.24
    morpholine 543.53
    tert-butylamine 113.39
    n-dodecanol 56.78
    dimethoxymethane 412.22
    ethylene carbonate 284.95
    cyrene 171.18
    2-ethoxyethyl acetate 215.12
    2-ethylhexyl acetate 149.02
    1,2,4-trichlorobenzene 303.38
    4-methylpyridine 456.65
    dibutyl ether 92.78
    2,6-dimethyl-4-heptanol 74.44
    DEF 253.12
    dimethyl isosorbide 263.05
    tetrachloroethylene 352.99
    eugenol 181.31
    triacetin 179.65
    span 80 136.66
    1,4-butanediol 71.55
    1,1-dichloroethane 414.97
    2-methyl-1-pentanol 94.51
    methyl formate 247.51
    2-methyl-1-butanol 140.04
    n-decane 23.05
    butyronitrile 242.0
    3,7-dimethyl-1-octanol 96.49
    1-chlorooctane 87.74
    1-chlorotetradecane 37.75
    n-nonane 21.13
    undecane 17.47
    tert-butylcyclohexane 30.47
    cyclooctane 27.09
    cyclopentanol 240.57
    tetrahydropyran 534.27
    tert-amyl methyl ether 146.61
    2,5,8-trioxanonane 221.3
    1-hexene 80.23
    2-isopropoxyethanol 132.51
    2,2,2-trifluoroethanol 99.01
    methyl butyrate 184.36

    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
Tansy (Netherlands) 1a leaf 8016-87-3 Tanacetum vulgare L. chrysantenyl chemotype, fam. Asteraceae (Compositae) 1.6%
Tansy (Netherlands) 1b flower 8016-87-3 Tanacetum vulgare L. chrysantenyl chemotype, fam. Asteraceae (Compositae) 0.05%
Tansy (Japan) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 7.6%