Ipsenone

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  • Identifiers

    CAS number
    19860-68-5

    Molecular formula
    C10H16O

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

  • Odor profile

    Fruity 56.75%
    Herbal 49.83%
    Green 41.58%
    Mint 39.47%
    Spicy 32.22%
    Fresh 30.76%
    Metallic 28.95%
    Sweet 27.96%
    Earthy 26.44%
    Woody 26.2%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point est.
    62.37 ˚C

  • Synonyms

    • ipsenone
    • 2-methyl-6-methylideneoct-7-en-4-one
    • 7-Octen-4-one, 2-methyl-6-methylene-
    • V7EA3V43ID
    • 2-methyl-6-methylene-7-octen-4-one
    • 19860-68-5
    • 2-Methyl-6-methylene-7-octene-4-one
    • UNII-V7EA3V43ID
    • DTXSID10496531
    • 2-Methyl-6-methyleneoct-7-en-4-one
    • SCHEMBL10024721
    • DTXCID10447341
    • Q67879925

  • Applications

    Ipsenone (CAS 19860-68-5) is a terpene-derived ketone of interest in odor chemistry and chemical ecology; in research it is used as an analytical standard/internal standard and spike for GC/GC-MS characterization and quantification of plant- and insect-emitted volatiles, as a behavioral probe to study orientation responses of bark beetles to semiochemical blends, as a component in experimental lures for forestry pest monitoring, and as a model substrate for developing organic syntheses, purification workflows, and stereoisomer (including chiral) separations; additionally, Ipsenone is useful for stability testing and oxidation/degradation kinetics of monoterpenoids, VOC sensor development, and air-sampling calibration; for research use only, not for drug, cosmetic, or food applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 770.59
    methanol 967.84
    isopropanol 679.26
    water 1.98
    ethyl acetate 309.08
    n-propanol 616.39
    acetone 476.09
    n-butanol 681.64
    acetonitrile 362.82
    DMF 547.32
    toluene 219.72
    isobutanol 515.71
    1,4-dioxane 760.03
    methyl acetate 292.81
    THF 1069.32
    2-butanone 389.45
    n-pentanol 467.38
    sec-butanol 571.77
    n-hexane 330.79
    ethylene glycol 134.93
    NMP 588.33
    cyclohexane 357.85
    DMSO 344.22
    n-butyl acetate 458.88
    n-octanol 315.14
    chloroform 1143.29
    n-propyl acetate 224.02
    acetic acid 555.55
    dichloromethane 622.29
    cyclohexanone 791.81
    propylene glycol 253.95
    isopropyl acetate 219.53
    DMAc 466.84
    2-ethoxyethanol 312.98
    isopentanol 550.18
    n-heptane 188.18
    ethyl formate 257.18
    1,2-dichloroethane 362.01
    n-hexanol 920.17
    2-methoxyethanol 564.7
    isobutyl acetate 193.66
    tetrachloromethane 208.41
    n-pentyl acetate 220.63
    transcutol 1046.84
    n-heptanol 293.31
    ethylbenzene 166.55
    MIBK 255.93
    2-propoxyethanol 727.81
    tert-butanol 765.96
    MTBE 476.03
    2-butoxyethanol 318.95
    propionic acid 413.24
    o-xylene 168.08
    formic acid 165.25
    diethyl ether 447.5
    m-xylene 177.5
    p-xylene 217.42
    chlorobenzene 303.81
    dimethyl carbonate 92.5
    n-octane 54.84
    formamide 123.02
    cyclopentanone 620.49
    2-pentanone 366.16
    anisole 244.83
    cyclopentyl methyl ether 495.34
    gamma-butyrolactone 585.25
    1-methoxy-2-propanol 446.56
    pyridine 469.17
    3-pentanone 250.73
    furfural 516.19
    n-dodecane 40.69
    diethylene glycol 387.45
    diisopropyl ether 159.66
    tert-amyl alcohol 602.22
    acetylacetone 285.92
    n-hexadecane 44.67
    acetophenone 224.55
    methyl propionate 222.49
    isopentyl acetate 424.47
    trichloroethylene 720.86
    n-nonanol 263.45
    cyclohexanol 661.41
    benzyl alcohol 238.61
    2-ethylhexanol 433.45
    isooctanol 219.6
    dipropyl ether 352.48
    1,2-dichlorobenzene 265.91
    ethyl lactate 144.29
    propylene carbonate 428.07
    n-methylformamide 255.59
    2-pentanol 455.52
    n-pentane 227.04
    1-propoxy-2-propanol 527.83
    1-methoxy-2-propyl acetate 331.66
    2-(2-methoxypropoxy) propanol 343.94
    mesitylene 130.56
    ε-caprolactone 568.17
    p-cymene 148.02
    epichlorohydrin 557.92
    1,1,1-trichloroethane 483.23
    2-aminoethanol 301.1
    morpholine-4-carbaldehyde 533.95
    sulfolane 570.43
    2,2,4-trimethylpentane 87.53
    2-methyltetrahydrofuran 779.58
    n-hexyl acetate 404.55
    isooctane 70.18
    2-(2-butoxyethoxy)ethanol 448.2
    sec-butyl acetate 179.47
    tert-butyl acetate 275.68
    decalin 120.92
    glycerin 263.78
    diglyme 600.13
    acrylic acid 305.18
    isopropyl myristate 169.8
    n-butyric acid 652.09
    acetyl acetate 198.51
    di(2-ethylhexyl) phthalate 173.97
    ethyl propionate 182.4
    nitromethane 438.81
    1,2-diethoxyethane 347.29
    benzonitrile 335.28
    trioctyl phosphate 130.76
    1-bromopropane 354.42
    gamma-valerolactone 748.77
    n-decanol 195.94
    triethyl phosphate 140.51
    4-methyl-2-pentanol 262.42
    propionitrile 338.95
    vinylene carbonate 347.67
    1,1,2-trichlorotrifluoroethane 479.58
    DMS 215.25
    cumene 134.6
    2-octanol 203.5
    2-hexanone 313.49
    octyl acetate 215.41
    limonene 251.93
    1,2-dimethoxyethane 595.91
    ethyl orthosilicate 146.45
    tributyl phosphate 157.16
    diacetone alcohol 343.05
    N,N-dimethylaniline 194.28
    acrylonitrile 306.02
    aniline 280.36
    1,3-propanediol 421.64
    bromobenzene 269.22
    dibromomethane 507.85
    1,1,2,2-tetrachloroethane 709.36
    2-methyl-cyclohexyl acetate 267.15
    tetrabutyl urea 199.19
    diisobutyl methanol 220.96
    2-phenylethanol 338.0
    styrene 184.28
    dioctyl adipate 226.58
    dimethyl sulfate 135.76
    ethyl butyrate 253.99
    methyl lactate 160.31
    butyl lactate 224.36
    diethyl carbonate 180.32
    propanediol butyl ether 380.68
    triethyl orthoformate 214.49
    p-tert-butyltoluene 145.61
    methyl 4-tert-butylbenzoate 253.4
    morpholine 887.74
    tert-butylamine 559.19
    n-dodecanol 153.72
    dimethoxymethane 292.31
    ethylene carbonate 311.15
    cyrene 255.26
    2-ethoxyethyl acetate 239.1
    2-ethylhexyl acetate 327.67
    1,2,4-trichlorobenzene 307.64
    4-methylpyridine 501.51
    dibutyl ether 305.4
    2,6-dimethyl-4-heptanol 220.96
    DEF 336.69
    dimethyl isosorbide 479.43
    tetrachloroethylene 458.71
    eugenol 245.61
    triacetin 290.89
    span 80 377.54
    1,4-butanediol 176.17
    1,1-dichloroethane 482.79
    2-methyl-1-pentanol 413.32
    methyl formate 199.57
    2-methyl-1-butanol 502.05
    n-decane 69.43
    butyronitrile 496.2
    3,7-dimethyl-1-octanol 293.82
    1-chlorooctane 190.29
    1-chlorotetradecane 88.25
    n-nonane 75.31
    undecane 50.8
    tert-butylcyclohexane 115.42
    cyclooctane 109.06
    cyclopentanol 551.43
    tetrahydropyran 931.0
    tert-amyl methyl ether 352.54
    2,5,8-trioxanonane 429.98
    1-hexene 506.69
    2-isopropoxyethanol 247.78
    2,2,2-trifluoroethanol 154.11
    methyl butyrate 282.43

    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 35.3%
Lippia dauensis (Kenya) Lippia dauensis (Chiov) Chiov, fam. Verbenaceae 15.7%
Basil (Italy) 2 var. hispidum Ocimum basilicum L. cultivar hispidum (Lam.) Chiov., fam. Lamiaceae 0.17%
Santolina chamaecyparisus (France) 3 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.43%
Basil, var. hispidum (Somalia) Ocimum basilicum L. cultivar hispidum, fam. Lamiaceae (Labiatae) 0.17%
Lippia multiflora leaf (Central African Repl.) Lippia multiflora s.l. Moldenke, fam. Verbenaceae 0.8%