Cohumulone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    511-25-1

    Molecular formula
    C20H28O5

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 48.35%
    Fruity 44.12%
    Sweet 42.79%
    Mint 39.15%
    Citrus 32.65%
    Woody 31.53%
    Floral 30.97%
    Spicy 29.65%
    Dry 26.76%
    Warm 23.9%

     

    Flavor
    Bitter 68.55%
    Herbal 21.55%
    Cedarleaf 20.82%
    Odorless 20.46%
    Broom 20.14%
    Leaves 20.01%
    Heather 19.9%
    Lovage 19.84%
    Genet 19.83%
    Basil 19.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.34 (neutral)

    Molecular weight
    348.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    486°C

    Flash point

    • 181.51 ˚C est.

  • Synonyms

    • Cohumulone
    • 511-25-1
    • 142628-20-4
    • 2Y34G4NIC8
    • (+/-)-cohumulone
    • 3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
    • 5-(alpha,beta-Dibromophenethyl)-5-methylhydantoin
    • UNII-2Y34G4NIC8
    • 2,5-Cyclohexadien-1-one, 3,4,5-trihydroxy-2-isobutyryl-4,6-bis(3-methyl-2-butenyl)-
    • co-humulone
    • Phloroglucinol Impurity U
    • COHUMULONE, (-)-
    • SCHEMBL317724
    • SCHEMBL13629034
    • GTPL12422
    • DTXSID20931549
    • CHEBI:175443
    • DTXSID701318500
    • 3,4,5-TRIHYDROXY-2,4-BIS(3-METHYLBUT-2-EN-1-YL)-6-(2-METHYLPROPANOYL)CYCLOHEXA-2,5-DIEN-1-ONE
    • 3,5,6-TRIHYDROXY-4,6-BIS(3-METHYLBUT-2-EN-1-YL)-2-(2-METHYLPROPANOYL)CYCLOHEXA-2,4-DIEN-1-ONE
    • FC172854
    • NS00094537
    • Q2981886
    • Q27893896
    • 3,4,5-trihydroxy-2-isobutyryl-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,5-dienone
    • (-)-3,4,5-TRIHYDROXY-2,4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-2,5-CYCLOHEXADIEN-1-ONE
    • 2,5-CYCLOHEXADIEN-1-ONE, 3,4,5-TRIHYDROXY-2,4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-, (-)-
    • 3,4,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one, 9CI
    • 511-25-1

  • Applications

    Cohumulone (CAS 511-25-1) is one of the alpha-bitter acids present in hop resins from Humulus lupulus and primarily contributes to bitterness in beer via isomerization to iso-α-acids during brewing. In industry, it is sourced from hop extracts or hop oil fractions to support flavor and fragrance applications, providing hop-like notes and serving as a raw material or intermediate in the downstream production of hop-derived flavor and aroma ingredients. In cosmetics and personal care, hop-derived extracts containing cohumulone are used as fragrance components to evoke green, resinous hop notes. In industrial manufacturing, cohumulone-rich fractions are processed as raw materials for the production of hop-based flavor and fragrance ingredients and related aroma chemistry. In analytical contexts, it may serve as a reference compound or component for analytical profiling of hop oil compositions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 283.92
    methanol 270.17
    isopropanol 234.18
    water 0.1
    ethyl acetate 166.29
    n-propanol 282.29
    acetone 274.31
    n-butanol 240.17
    acetonitrile 92.46
    DMF 856.04
    toluene 135.08
    isobutanol 215.2
    1,4-dioxane 321.04
    methyl acetate 221.0
    THF 797.16
    2-butanone 346.08
    n-pentanol 184.42
    sec-butanol 280.9
    n-hexane 12.7
    ethylene glycol 53.25
    NMP 907.16
    cyclohexane 14.9
    DMSO 517.27
    n-butyl acetate 157.61
    n-octanol 66.26
    chloroform 299.83
    n-propyl acetate 118.57
    acetic acid 226.7
    dichloromethane 234.18
    cyclohexanone 417.19
    propylene glycol 142.34
    isopropyl acetate 140.82
    DMAc 873.4
    2-ethoxyethanol 268.97
    isopentanol 204.03
    n-heptane 6.03
    ethyl formate 112.28
    1,2-dichloroethane 245.78
    n-hexanol 208.23
    2-methoxyethanol 451.36
    isobutyl acetate 93.42
    tetrachloromethane 40.09
    n-pentyl acetate 109.31
    transcutol 351.97
    n-heptanol 95.78
    ethylbenzene 72.9
    MIBK 174.18
    2-propoxyethanol 351.66
    tert-butanol 277.23
    MTBE 175.21
    2-butoxyethanol 204.73
    propionic acid 175.72
    o-xylene 86.6
    formic acid 89.6
    diethyl ether 139.12
    m-xylene 91.32
    p-xylene 83.26
    chlorobenzene 136.33
    dimethyl carbonate 133.1
    n-octane 3.51
    formamide 156.69
    cyclopentanone 610.37
    2-pentanone 262.41
    anisole 145.38
    cyclopentyl methyl ether 305.51
    gamma-butyrolactone 569.26
    1-methoxy-2-propanol 431.6
    pyridine 372.74
    3-pentanone 185.93
    furfural 338.05
    n-dodecane 2.71
    diethylene glycol 222.37
    diisopropyl ether 44.81
    tert-amyl alcohol 284.35
    acetylacetone 227.09
    n-hexadecane 3.11
    acetophenone 163.37
    methyl propionate 225.68
    isopentyl acetate 166.04
    trichloroethylene 428.0
    n-nonanol 64.99
    cyclohexanol 236.48
    benzyl alcohol 170.26
    2-ethylhexanol 101.66
    isooctanol 78.84
    dipropyl ether 66.77
    1,2-dichlorobenzene 117.29
    ethyl lactate 100.05
    propylene carbonate 276.94
    n-methylformamide 286.58
    2-pentanol 182.21
    n-pentane 12.64
    1-propoxy-2-propanol 209.25
    1-methoxy-2-propyl acetate 204.11
    2-(2-methoxypropoxy) propanol 161.47
    mesitylene 48.21
    ε-caprolactone 371.75
    p-cymene 40.24
    epichlorohydrin 676.76
    1,1,1-trichloroethane 198.22
    2-aminoethanol 161.14
    morpholine-4-carbaldehyde 632.13
    sulfolane 731.7
    2,2,4-trimethylpentane 10.78
    2-methyltetrahydrofuran 485.65
    n-hexyl acetate 128.27
    isooctane 7.06
    2-(2-butoxyethoxy)ethanol 214.8
    sec-butyl acetate 101.67
    tert-butyl acetate 168.25
    decalin 14.07
    glycerin 166.23
    diglyme 306.5
    acrylic acid 142.33
    isopropyl myristate 45.87
    n-butyric acid 228.22
    acetyl acetate 89.72
    di(2-ethylhexyl) phthalate 69.09
    ethyl propionate 114.99
    nitromethane 292.21
    1,2-diethoxyethane 116.77
    benzonitrile 125.84
    trioctyl phosphate 51.92
    1-bromopropane 137.25
    gamma-valerolactone 683.2
    n-decanol 47.25
    triethyl phosphate 60.51
    4-methyl-2-pentanol 105.92
    propionitrile 130.23
    vinylene carbonate 193.06
    1,1,2-trichlorotrifluoroethane 376.58
    DMS 119.89
    cumene 51.14
    2-octanol 61.9
    2-hexanone 156.66
    octyl acetate 70.88
    limonene 58.07
    1,2-dimethoxyethane 323.93
    ethyl orthosilicate 60.23
    tributyl phosphate 54.14
    diacetone alcohol 285.64
    N,N-dimethylaniline 130.14
    acrylonitrile 152.85
    aniline 200.3
    1,3-propanediol 228.17
    bromobenzene 123.86
    dibromomethane 177.63
    1,1,2,2-tetrachloroethane 394.14
    2-methyl-cyclohexyl acetate 112.87
    tetrabutyl urea 79.84
    diisobutyl methanol 51.23
    2-phenylethanol 177.84
    styrene 80.55
    dioctyl adipate 73.64
    dimethyl sulfate 232.78
    ethyl butyrate 91.33
    methyl lactate 179.68
    butyl lactate 110.16
    diethyl carbonate 61.01
    propanediol butyl ether 166.99
    triethyl orthoformate 72.63
    p-tert-butyltoluene 43.31
    methyl 4-tert-butylbenzoate 150.14
    morpholine 537.73
    tert-butylamine 139.68
    n-dodecanol 32.0
    dimethoxymethane 380.2
    ethylene carbonate 172.39
    cyrene 233.64
    2-ethoxyethyl acetate 145.57
    2-ethylhexyl acetate 126.63
    1,2,4-trichlorobenzene 160.55
    4-methylpyridine 366.39
    dibutyl ether 43.24
    2,6-dimethyl-4-heptanol 51.23
    DEF 312.9
    dimethyl isosorbide 306.81
    tetrachloroethylene 211.49
    eugenol 151.16
    triacetin 109.39
    span 80 147.71
    1,4-butanediol 101.6
    1,1-dichloroethane 227.09
    2-methyl-1-pentanol 187.08
    methyl formate 193.47
    2-methyl-1-butanol 231.19
    n-decane 4.44
    butyronitrile 133.68
    3,7-dimethyl-1-octanol 73.94
    1-chlorooctane 27.94
    1-chlorotetradecane 11.35
    n-nonane 3.85
    undecane 3.4
    tert-butylcyclohexane 13.06
    cyclooctane 5.65
    cyclopentanol 305.71
    tetrahydropyran 347.23
    tert-amyl methyl ether 167.01
    2,5,8-trioxanonane 215.21
    1-hexene 56.66
    2-isopropoxyethanol 197.27
    2,2,2-trifluoroethanol 78.79
    methyl butyrate 155.9

    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