Cohulupone

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  • Identifiers

    CAS number
    1891-34-5

    Molecular formula
    C19H26O4

    SMILES
    CC(C)C(=O)C1C(=O)C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 61.07%
    Herbal 52.66%
    Sweet 44.69%
    Mint 43.99%
    Floral 43.71%
    Citrus 38.97%
    Woody 38.33%
    Spicy 32.03%
    Rose 31.72%
    Tobacco 29.96%

     

    Flavor
    Bitter 69.45%
    Herbal 21.7%
    Cedarleaf 21.06%
    Broom 20.15%
    Heather 20.01%
    Genet 19.92%
    Lovage 19.72%
    Basil 19.62%
    Leaves 19.09%
    Parsley 18.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    6.48 (neutral)

    Molecular weight
    318.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 142.18 ˚C est.

  • Synonyms

    • Cohulupone
    • Cohulupon
    • 3,3-bis(3-methylbut-2-enyl)-5-(2-methylpropanoyl)cyclopentane-1,2,4-trione
    • DTXSID10338669
    • 1,2,4-Cyclopentanetrione, 5-isobutyryl-3,3-bis(3-methyl-2-butenyl)-
    • 3,3-bis(3-methylbut-2-en-1-yl)-5-(2-methylpropanoyl)cyclopentane-1,2,4-trione
    • 1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-
    • 3,3-Bis(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-1,2,4-cyclopentanetrione, 9CI
    • RefChem:127420
    • DTXCID00289752
    • HMEGPOIWNGKXBR-UHFFFAOYSA-N
    • 1891-34-5
    • 3,3-Bis(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-1,2,4-cyclopentanetrione
    • SCHEMBL30211331
    • CHEBI:174323
    • 5-Isobutyryl-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione #
    • 5-Isobutyryl-3,3-bis(3-methylbut-2-en-1-yl)cyclopentane-1,2,4-trione
    • 1891-34-5

  • Applications

    Cohulupone (CAS 1891-34-5) is used primarily as an industrial chemical intermediate and processing aid. It can serve as a reactive intermediate in organic synthesis and may function as a solvent or co-solvent in specialty formulations. It is also evaluated as a fragrance-related ingredient, potentially acting as an odorant or fixative in perfumery, and may serve as a stabilizer or processing aid in polymers and plastics. Additional applications include use in coatings, inks, and cleaning formulations, where it can contribute to formulation performance or serve as a feedstock for downstream products. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 242.89
    methanol 178.57
    isopropanol 280.23
    water 0.19
    ethyl acetate 583.92
    n-propanol 296.9
    acetone 730.14
    n-butanol 299.12
    acetonitrile 375.31
    DMF 1378.49
    toluene 665.51
    isobutanol 299.25
    1,4-dioxane 750.44
    methyl acetate 663.89
    THF 1563.36
    2-butanone 885.6
    n-pentanol 247.68
    sec-butanol 387.2
    n-hexane 57.47
    ethylene glycol 43.6
    NMP 1971.68
    cyclohexane 96.26
    DMSO 666.46
    n-butyl acetate 459.3
    n-octanol 145.72
    chloroform 1877.62
    n-propyl acetate 385.62
    acetic acid 328.4
    dichloromethane 1502.34
    cyclohexanone 1206.86
    propylene glycol 122.81
    isopropyl acetate 459.97
    DMAc 1658.18
    2-ethoxyethanol 342.35
    isopentanol 345.95
    n-heptane 25.05
    ethyl formate 320.16
    1,2-dichloroethane 1071.09
    n-hexanol 290.43
    2-methoxyethanol 455.77
    isobutyl acetate 307.27
    tetrachloromethane 249.3
    n-pentyl acetate 309.41
    transcutol 591.59
    n-heptanol 152.44
    ethylbenzene 375.89
    MIBK 463.07
    2-propoxyethanol 500.17
    tert-butanol 373.42
    MTBE 411.37
    2-butoxyethanol 312.33
    propionic acid 334.62
    o-xylene 385.04
    formic acid 88.51
    diethyl ether 332.9
    m-xylene 388.93
    p-xylene 486.52
    chlorobenzene 795.1
    dimethyl carbonate 364.66
    n-octane 15.43
    formamide 210.23
    cyclopentanone 1613.52
    2-pentanone 681.96
    anisole 579.75
    cyclopentyl methyl ether 780.81
    gamma-butyrolactone 1484.36
    1-methoxy-2-propanol 541.98
    pyridine 1092.67
    3-pentanone 571.45
    furfural 1010.52
    n-dodecane 13.02
    diethylene glycol 263.21
    diisopropyl ether 148.25
    tert-amyl alcohol 452.54
    acetylacetone 758.68
    n-hexadecane 15.54
    acetophenone 639.72
    methyl propionate 641.88
    isopentyl acetate 485.36
    trichloroethylene 2286.45
    n-nonanol 141.39
    cyclohexanol 501.74
    benzyl alcohol 454.91
    2-ethylhexanol 218.43
    isooctanol 143.75
    dipropyl ether 179.09
    1,2-dichlorobenzene 694.66
    ethyl lactate 224.88
    propylene carbonate 926.87
    n-methylformamide 440.82
    2-pentanol 297.79
    n-pentane 46.02
    1-propoxy-2-propanol 356.47
    1-methoxy-2-propyl acetate 510.85
    2-(2-methoxypropoxy) propanol 329.49
    mesitylene 216.88
    ε-caprolactone 1079.94
    p-cymene 154.57
    epichlorohydrin 1780.09
    1,1,1-trichloroethane 1235.4
    2-aminoethanol 128.39
    morpholine-4-carbaldehyde 1339.13
    sulfolane 1612.79
    2,2,4-trimethylpentane 39.62
    2-methyltetrahydrofuran 1239.79
    n-hexyl acetate 420.19
    isooctane 25.07
    2-(2-butoxyethoxy)ethanol 351.43
    sec-butyl acetate 359.6
    tert-butyl acetate 500.08
    decalin 86.11
    glycerin 152.74
    diglyme 613.1
    acrylic acid 281.09
    isopropyl myristate 155.46
    n-butyric acid 479.13
    acetyl acetate 387.13
    di(2-ethylhexyl) phthalate 186.5
    ethyl propionate 393.04
    nitromethane 681.84
    1,2-diethoxyethane 299.98
    benzonitrile 531.35
    trioctyl phosphate 123.17
    1-bromopropane 596.7
    gamma-valerolactone 1568.41
    n-decanol 103.18
    triethyl phosphate 188.66
    4-methyl-2-pentanol 209.01
    propionitrile 399.38
    vinylene carbonate 667.39
    1,1,2-trichlorotrifluoroethane 898.28
    DMS 469.68
    cumene 231.36
    2-octanol 128.61
    2-hexanone 478.38
    octyl acetate 205.41
    limonene 210.18
    1,2-dimethoxyethane 612.65
    ethyl orthosilicate 176.92
    tributyl phosphate 157.44
    diacetone alcohol 586.39
    N,N-dimethylaniline 456.43
    acrylonitrile 488.44
    aniline 642.85
    1,3-propanediol 214.24
    bromobenzene 869.43
    dibromomethane 1095.2
    1,1,2,2-tetrachloroethane 1975.11
    2-methyl-cyclohexyl acetate 356.64
    tetrabutyl urea 214.27
    diisobutyl methanol 120.38
    2-phenylethanol 424.35
    styrene 430.27
    dioctyl adipate 232.05
    dimethyl sulfate 620.44
    ethyl butyrate 305.03
    methyl lactate 339.87
    butyl lactate 254.9
    diethyl carbonate 223.37
    propanediol butyl ether 249.92
    triethyl orthoformate 214.24
    p-tert-butyltoluene 149.78
    methyl 4-tert-butylbenzoate 429.59
    morpholine 1000.97
    tert-butylamine 234.91
    n-dodecanol 76.87
    dimethoxymethane 622.17
    ethylene carbonate 589.33
    cyrene 489.44
    2-ethoxyethyl acetate 391.92
    2-ethylhexyl acetate 401.03
    1,2,4-trichlorobenzene 929.61
    4-methylpyridine 1329.56
    dibutyl ether 156.27
    2,6-dimethyl-4-heptanol 120.38
    DEF 816.88
    dimethyl isosorbide 721.25
    tetrachloroethylene 988.21
    eugenol 372.31
    triacetin 371.48
    span 80 272.65
    1,4-butanediol 111.16
    1,1-dichloroethane 1183.11
    2-methyl-1-pentanol 325.54
    methyl formate 362.57
    2-methyl-1-butanol 371.27
    n-decane 21.57
    butyronitrile 401.9
    3,7-dimethyl-1-octanol 176.6
    1-chlorooctane 125.06
    1-chlorotetradecane 52.29
    n-nonane 19.47
    undecane 16.32
    tert-butylcyclohexane 65.67
    cyclooctane 34.3
    cyclopentanol 583.43
    tetrahydropyran 853.35
    tert-amyl methyl ether 387.49
    2,5,8-trioxanonane 408.33
    1-hexene 209.85
    2-isopropoxyethanol 310.21
    2,2,2-trifluoroethanol 177.12
    methyl butyrate 540.51

    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