Hulupone

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  • Identifiers

    CAS number
    468-62-2

    Molecular formula
    C20H28O4

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 62.2%
    Fruity 56.93%
    Mint 45.73%
    Sweet 42.56%
    Woody 37.87%
    Floral 36.03%
    Citrus 35.21%
    Spicy 33.42%
    Rose 30.63%
    Tobacco 29.19%

     

    Flavor
    Bitter 66.62%
    Herbal 24.29%
    Cedarleaf 20.62%
    Heather 20.47%
    Genet 20.3%
    Broom 20.29%
    Lovage 19.9%
    Basil 19.54%
    Parsley 19.16%
    Leaves 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    6.66 (neutral)

    Molecular weight
    332.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    427°C

    Flash point

    • 150.77 ˚C est.

  • Synonyms

    • Hulupone
    • Hulupone-
    • HT8M51P7PV
    • 468-62-2
    • UNII-HT8M51P7PV
    • 4-hydroxy-5-(3-methylbutanoyl)-2,2-bis(3-methylbut-2-enyl)cyclopent-4-ene-1,3-dione
    • 1,2,4-Cyclopentanetrione, 5-isovaleryl-3,3-bis(3-methyl-2-butenyl)-
    • 1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-buten-1-yl)-5-(3-methyl-1-oxobutyl)-
    • 3,3-Bis(3-methyl-2-buten-1-yl)-5-(3-methyl-1-oxobutyl)-1,2,4-cyclopentanetrione
    • 4-hydroxy-2,2-bis(3-methylbut-2-en-1-yl)-5-(3-methylbutanoyl)cyclopent-4-ene-1,3-dione
    • RefChem:146892
    • 1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-
    • 1,3-Cyclopentanedione, 4-hydroxy-2,2-bis(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-
    • SGJIYESRGDTFSD-UHFFFAOYSA-N
    • SCHEMBL29351523
    • YDAFVJGIRJZGKB-UHFFFAOYSA-N
    • 4-Hydroxy-2,2-bis(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-cyclopent-4-en-1,3-dione
    • Q27896448
    • 4-Hydroxy-5-(3-methylbutanoyl)-2,2-bis(3-methyl-2-butenyl)-4-cyclopentene-1,3-dione #
    • Cyclopent-4-ene-1,3-dione, 4-Hydroxy-2,2-bis(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-
    • 468-62-2

  • Applications

    Hulupone (CAS 468-62-2) is used as an intermediate, solvent, or processing additive in various formulations; it is commonly evaluated for fragrance as an odorant component or fixative; in cosmetics/personal care as a formulation ingredient; in household products as part of cleaning product formulations; in coatings and inks as a solvent or processing aid; in polymers and plastics as a stabilizer or processing aid; in adhesives as a solvent or additive; and in industrial manufacturing as an intermediate for chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 571.49
    methanol 381.79
    isopropanol 589.46
    water 0.27
    ethyl acetate 1222.99
    n-propanol 673.77
    acetone 1586.58
    n-butanol 639.33
    acetonitrile 753.48
    DMF 3539.37
    toluene 945.22
    isobutanol 651.14
    1,4-dioxane 1227.88
    methyl acetate 1233.17
    THF 3393.29
    2-butanone 1674.03
    n-pentanol 443.87
    sec-butanol 767.59
    n-hexane 83.25
    ethylene glycol 120.05
    NMP 4932.48
    cyclohexane 118.84
    DMSO 1701.77
    n-butyl acetate 873.48
    n-octanol 241.55
    chloroform 3537.2
    n-propyl acetate 700.04
    acetic acid 965.61
    dichloromethane 2872.45
    cyclohexanone 2438.29
    propylene glycol 345.08
    isopropyl acetate 942.54
    DMAc 3423.1
    2-ethoxyethanol 671.28
    isopentanol 723.27
    n-heptane 34.45
    ethyl formate 676.43
    1,2-dichloroethane 2279.24
    n-hexanol 553.62
    2-methoxyethanol 1137.98
    isobutyl acetate 547.02
    tetrachloromethane 454.92
    n-pentyl acetate 597.43
    transcutol 1568.88
    n-heptanol 263.05
    ethylbenzene 438.11
    MIBK 1004.06
    2-propoxyethanol 1053.22
    tert-butanol 737.82
    MTBE 790.77
    2-butoxyethanol 580.92
    propionic acid 810.89
    o-xylene 504.91
    formic acid 301.73
    diethyl ether 644.11
    m-xylene 594.06
    p-xylene 576.6
    chlorobenzene 1365.49
    dimethyl carbonate 845.87
    n-octane 17.97
    formamide 650.87
    cyclopentanone 3487.81
    2-pentanone 1496.91
    anisole 846.62
    cyclopentyl methyl ether 1659.7
    gamma-butyrolactone 3383.35
    1-methoxy-2-propanol 1288.47
    pyridine 1971.21
    3-pentanone 1106.39
    furfural 2159.17
    n-dodecane 13.77
    diethylene glycol 605.23
    diisopropyl ether 272.59
    tert-amyl alcohol 838.03
    acetylacetone 1694.76
    n-hexadecane 16.52
    acetophenone 990.72
    methyl propionate 1389.21
    isopentyl acetate 904.35
    trichloroethylene 5079.86
    n-nonanol 229.01
    cyclohexanol 901.92
    benzyl alcohol 670.99
    2-ethylhexanol 365.41
    isooctanol 250.84
    dipropyl ether 314.79
    1,2-dichlorobenzene 1237.39
    ethyl lactate 452.51
    propylene carbonate 2005.84
    n-methylformamide 1217.63
    2-pentanol 628.73
    n-pentane 73.86
    1-propoxy-2-propanol 717.22
    1-methoxy-2-propyl acetate 1064.38
    2-(2-methoxypropoxy) propanol 665.34
    mesitylene 321.99
    ε-caprolactone 2171.67
    p-cymene 226.26
    epichlorohydrin 3917.94
    1,1,1-trichloroethane 2514.29
    2-aminoethanol 361.74
    morpholine-4-carbaldehyde 2867.61
    sulfolane 4137.56
    2,2,4-trimethylpentane 61.46
    2-methyltetrahydrofuran 2429.46
    n-hexyl acetate 842.22
    isooctane 44.14
    2-(2-butoxyethoxy)ethanol 771.12
    sec-butyl acetate 619.67
    tert-butyl acetate 1063.46
    decalin 99.2
    glycerin 411.25
    diglyme 1289.04
    acrylic acid 772.56
    isopropyl myristate 283.11
    n-butyric acid 1214.12
    acetyl acetate 827.67
    di(2-ethylhexyl) phthalate 340.86
    ethyl propionate 714.03
    nitromethane 1963.03
    1,2-diethoxyethane 550.16
    benzonitrile 839.79
    trioctyl phosphate 233.22
    1-bromopropane 1127.61
    gamma-valerolactone 3379.29
    n-decanol 164.15
    triethyl phosphate 320.48
    4-methyl-2-pentanol 408.45
    propionitrile 760.19
    vinylene carbonate 1474.86
    1,1,2-trichlorotrifluoroethane 2189.88
    DMS 932.77
    cumene 290.47
    2-octanol 209.17
    2-hexanone 794.41
    octyl acetate 396.49
    limonene 335.87
    1,2-dimethoxyethane 1090.19
    ethyl orthosilicate 294.5
    tributyl phosphate 308.66
    diacetone alcohol 1323.56
    N,N-dimethylaniline 684.07
    acrylonitrile 1004.92
    aniline 1127.36
    1,3-propanediol 536.77
    bromobenzene 1475.99
    dibromomethane 1847.8
    1,1,2,2-tetrachloroethane 4130.36
    2-methyl-cyclohexyl acetate 607.88
    tetrabutyl urea 421.51
    diisobutyl methanol 203.97
    2-phenylethanol 717.95
    styrene 498.12
    dioctyl adipate 442.89
    dimethyl sulfate 1519.77
    ethyl butyrate 543.24
    methyl lactate 862.86
    butyl lactate 542.71
    diethyl carbonate 393.96
    propanediol butyl ether 549.91
    triethyl orthoformate 385.68
    p-tert-butyltoluene 229.73
    methyl 4-tert-butylbenzoate 807.05
    morpholine 1895.95
    tert-butylamine 454.86
    n-dodecanol 119.64
    dimethoxymethane 1408.35
    ethylene carbonate 1246.07
    cyrene 850.45
    2-ethoxyethyl acetate 782.37
    2-ethylhexyl acetate 725.57
    1,2,4-trichlorobenzene 1668.7
    4-methylpyridine 2308.9
    dibutyl ether 255.14
    2,6-dimethyl-4-heptanol 203.97
    DEF 1850.27
    dimethyl isosorbide 1434.51
    tetrachloroethylene 2033.11
    eugenol 715.98
    triacetin 764.51
    span 80 560.19
    1,4-butanediol 218.0
    1,1-dichloroethane 2344.59
    2-methyl-1-pentanol 561.68
    methyl formate 924.37
    2-methyl-1-butanol 777.96
    n-decane 24.44
    butyronitrile 768.24
    3,7-dimethyl-1-octanol 311.12
    1-chlorooctane 189.31
    1-chlorotetradecane 68.38
    n-nonane 22.57
    undecane 17.76
    tert-butylcyclohexane 82.28
    cyclooctane 43.35
    cyclopentanol 1136.4
    tetrahydropyran 1505.06
    tert-amyl methyl ether 733.75
    2,5,8-trioxanonane 830.68
    1-hexene 330.43
    2-isopropoxyethanol 545.7
    2,2,2-trifluoroethanol 496.95
    methyl butyrate 970.74

    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