Hop, Humulus lupulus, ext.

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  • Identifiers

    CAS number
    8060-28-4

    Molecular formula
    C61H88O8

    SMILES
    C/C/1=C\2/CCC2=CC/C(=C/CC1)/C.CC(C)CC(=C)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O.CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 71.3%
    Sweet 47.0%
    Spicy 46.76%
    Fruity 43.42%
    Floral 37.79%
    Balsamic 37.39%
    Dry 35.47%
    Citrus 33.04%
    Tropical 32.97%
    Amber 30.89%

     

    Flavor
    Woody 41.71%
    Wood 41.37%
    Spice 30.17%
    Spicy 29.1%
    Sweet 27.34%
    Dry 25.41%
    Herbal 22.39%
    Floral 22.11%
    Camphor 22.08%
    Shrimp 21.32%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    9.78 (weak base)

    Molecular weight
    949.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point

    • 106.13 ˚C est.

  • Synonyms

    • 8060-28-4
    • Hop, Humulus lupulus, ext.
    • 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one;(1Z,4E,8Z)-4,8-dimethylbicyclo[7.2.0]undeca-1,4,8-triene;3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-one
    • FEMA No. 2579
    • WOFBPYVSLWNDPQ-HCLWIVLTSA-N
    • EINECS 232-504-3
    • 232-504-3
    • 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one;(4E,8E)-4,8-dimethylbicyclo[7.2.0]undeca-1,4,8-triene;3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-one

  • Applications

    Hop, Humulus lupulus, ext. (CAS 8060-28-4) is a hop extract widely used as a bittering and aroma component in beer and other fermented beverages; it also serves as a flavoring ingredient in food and beverage formulations to impart hop notes; in cosmetics and personal care as a fragrance ingredient and aroma contributor; in perfumery as a fragrance component and potential fixative; and in household cleaning products as a fragrance additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.98
    methanol 28.24
    isopropanol 71.11
    water 0.02
    ethyl acetate 225.76
    n-propanol 88.11
    acetone 194.75
    n-butanol 114.18
    acetonitrile 107.66
    DMF 168.55
    toluene 414.54
    isobutanol 79.87
    1,4-dioxane 452.9
    methyl acetate 172.7
    THF 719.2
    2-butanone 245.54
    n-pentanol 86.59
    sec-butanol 91.13
    n-hexane 141.18
    ethylene glycol 7.4
    NMP 238.66
    cyclohexane 248.27
    DMSO 126.79
    n-butyl acetate 436.1
    n-octanol 136.41
    chloroform 544.37
    n-propyl acetate 178.74
    acetic acid 49.17
    dichloromethane 535.51
    cyclohexanone 442.24
    propylene glycol 16.46
    isopropyl acetate 178.46
    DMAc 185.27
    2-ethoxyethanol 78.44
    isopentanol 105.32
    n-heptane 261.63
    ethyl formate 108.77
    1,2-dichloroethane 342.37
    n-hexanol 248.37
    2-methoxyethanol 90.01
    isobutyl acetate 162.88
    tetrachloromethane 155.05
    n-pentyl acetate 195.4
    transcutol 394.89
    n-heptanol 123.62
    ethylbenzene 216.15
    MIBK 185.19
    2-propoxyethanol 207.24
    tert-butanol 118.67
    MTBE 235.02
    2-butoxyethanol 124.53
    propionic acid 62.68
    o-xylene 228.0
    formic acid 4.79
    diethyl ether 310.79
    m-xylene 266.5
    p-xylene 237.03
    chlorobenzene 294.97
    dimethyl carbonate 72.42
    n-octane 77.7
    formamide 11.61
    cyclopentanone 453.03
    2-pentanone 244.73
    anisole 239.48
    cyclopentyl methyl ether 400.67
    gamma-butyrolactone 346.59
    1-methoxy-2-propanol 107.05
    pyridine 402.59
    3-pentanone 229.52
    furfural 226.22
    n-dodecane 50.54
    diethylene glycol 76.46
    diisopropyl ether 139.6
    tert-amyl alcohol 111.96
    acetylacetone 228.59
    n-hexadecane 58.93
    acetophenone 199.68
    methyl propionate 166.65
    isopentyl acetate 355.14
    trichloroethylene 520.01
    n-nonanol 127.68
    cyclohexanol 175.2
    benzyl alcohol 117.66
    2-ethylhexanol 228.02
    isooctanol 109.47
    dipropyl ether 464.18
    1,2-dichlorobenzene 252.03
    ethyl lactate 65.87
    propylene carbonate 224.89
    n-methylformamide 47.49
    2-pentanol 96.38
    n-pentane 114.62
    1-propoxy-2-propanol 200.95
    1-methoxy-2-propyl acetate 262.71
    2-(2-methoxypropoxy) propanol 166.89
    mesitylene 187.52
    ε-caprolactone 333.73
    p-cymene 196.57
    epichlorohydrin 386.28
    1,1,1-trichloroethane 397.65
    2-aminoethanol 19.75
    morpholine-4-carbaldehyde 248.01
    sulfolane 320.58
    2,2,4-trimethylpentane 48.53
    2-methyltetrahydrofuran 536.8
    n-hexyl acetate 271.49
    isooctane 51.64
    2-(2-butoxyethoxy)ethanol 208.23
    sec-butyl acetate 154.16
    tert-butyl acetate 207.19
    decalin 108.99
    glycerin 20.46
    diglyme 357.79
    acrylic acid 44.36
    isopropyl myristate 158.65
    n-butyric acid 135.2
    acetyl acetate 147.29
    di(2-ethylhexyl) phthalate 107.05
    ethyl propionate 177.04
    nitromethane 85.45
    1,2-diethoxyethane 337.42
    benzonitrile 199.37
    trioctyl phosphate 89.51
    1-bromopropane 360.94
    gamma-valerolactone 358.61
    n-decanol 102.79
    triethyl phosphate 123.83
    4-methyl-2-pentanol 76.48
    propionitrile 155.25
    vinylene carbonate 176.75
    1,1,2-trichlorotrifluoroethane 140.81
    DMS 170.28
    cumene 150.04
    2-octanol 95.48
    2-hexanone 209.06
    octyl acetate 170.34
    limonene 280.72
    1,2-dimethoxyethane 259.03
    ethyl orthosilicate 126.48
    tributyl phosphate 106.89
    diacetone alcohol 147.21
    N,N-dimethylaniline 181.21
    acrylonitrile 123.39
    aniline 178.42
    1,3-propanediol 37.43
    bromobenzene 385.09
    dibromomethane 458.06
    1,1,2,2-tetrachloroethane 386.56
    2-methyl-cyclohexyl acetate 226.61
    tetrabutyl urea 141.91
    diisobutyl methanol 143.6
    2-phenylethanol 181.79
    styrene 235.13
    dioctyl adipate 167.17
    dimethyl sulfate 94.6
    ethyl butyrate 307.9
    methyl lactate 52.96
    butyl lactate 105.9
    diethyl carbonate 172.47
    propanediol butyl ether 92.46
    triethyl orthoformate 196.39
    p-tert-butyltoluene 185.78
    methyl 4-tert-butylbenzoate 199.91
    morpholine 398.67
    tert-butylamine 106.97
    n-dodecanol 89.44
    dimethoxymethane 186.21
    ethylene carbonate 168.43
    cyrene 136.42
    2-ethoxyethyl acetate 216.2
    2-ethylhexyl acetate 328.68
    1,2,4-trichlorobenzene 268.14
    4-methylpyridine 389.5
    dibutyl ether 285.84
    2,6-dimethyl-4-heptanol 143.6
    DEF 227.56
    dimethyl isosorbide 325.98
    tetrachloroethylene 255.62
    eugenol 146.03
    triacetin 189.23
    span 80 152.4
    1,4-butanediol 20.95
    1,1-dichloroethane 346.67
    2-methyl-1-pentanol 95.07
    methyl formate 47.03
    2-methyl-1-butanol 103.52
    n-decane 84.47
    butyronitrile 194.95
    3,7-dimethyl-1-octanol 145.84
    1-chlorooctane 194.15
    1-chlorotetradecane 89.78
    n-nonane 92.93
    undecane 63.14
    tert-butylcyclohexane 95.51
    cyclooctane 123.02
    cyclopentanol 154.06
    tetrahydropyran 618.7
    tert-amyl methyl ether 183.93
    2,5,8-trioxanonane 271.41
    1-hexene 260.6
    2-isopropoxyethanol 86.71
    2,2,2-trifluoroethanol 17.82
    methyl butyrate 206.41

    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