Bean, ext.

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85085-22-9

    Molecular formula
    C98H178O9

    SMILES
    CC1CC(CC(C1O)C)C=C(C)C.CC1CC(CC(C1C=C(C)C)C)O.CC1CC(C(CC1O)C)C=C(C)C.CC1C(C(CCC1C=C(C)C)O)C.CC1(CCC(C(C1)O)C=C)C.CC1(CCC(C(C1)C=C)O)C.CC1(CCCC(C1C=C)O)C.CC1(CCCC(C1O)C=C)C.CC1(C(CCCC1O)C=C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Herbal 62.92%
    Floral 51.98%
    Spicy 49.52%
    Citrus 49.42%
    Green 47.91%
    Fresh 45.02%
    Woody 42.58%
    Mint 37.87%
    Earthy 36.55%
    Grapefruit 35.44%

     

    Flavor
    Herbal 59.2%
    Spicy 44.81%
    Fresh 43.71%
    Herb 43.29%
    Green 41.55%
    Sweet 41.39%
    Woody 41.09%
    Minty 40.65%
    Spice 36.77%
    Mint 31.62%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    10.08 (weak base)

    Molecular weight
    1500.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 100.49 ˚C est.

  • Synonyms

    • 85085-22-9
    • Bean, ext.
    • RefChem:561149
    • DTXSID201042877
    • 285-354-6
    • 85085-22-9

  • Applications

    Bean, ext. (CAS 85085-22-9) is used as a botanical extract with applications in perfumery/fragrance as a natural odorant, in cosmetics/personal care as a plant-derived extract for skin and hair care formulations, in food processing and flavor applications as a flavor/aroma ingredient, and in household products and cleaning formulations as a fragrance component; formulation contexts vary and use is often subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 752.05
    methanol 705.36
    isopropanol 630.91
    water 0.41
    ethyl acetate 491.26
    n-propanol 661.07
    acetone 493.67
    n-butanol 776.01
    acetonitrile 454.71
    DMF 323.44
    toluene 450.44
    isobutanol 474.35
    1,4-dioxane 889.39
    methyl acetate 370.26
    THF 1547.91
    2-butanone 513.77
    n-pentanol 430.91
    sec-butanol 541.32
    n-hexane 258.41
    ethylene glycol 39.7
    NMP 317.87
    cyclohexane 308.25
    DMSO 283.39
    n-butyl acetate 823.69
    n-octanol 327.3
    chloroform 1363.98
    n-propyl acetate 370.42
    acetic acid 319.07
    dichloromethane 968.55
    cyclohexanone 646.86
    propylene glycol 87.33
    isopropyl acetate 345.64
    DMAc 259.6
    2-ethoxyethanol 334.37
    isopentanol 653.91
    n-heptane 220.44
    ethyl formate 314.2
    1,2-dichloroethane 526.82
    n-hexanol 801.04
    2-methoxyethanol 534.34
    isobutyl acetate 260.45
    tetrachloromethane 334.93
    n-pentyl acetate 380.15
    transcutol 1406.13
    n-heptanol 370.29
    ethylbenzene 214.99
    MIBK 332.02
    2-propoxyethanol 696.4
    tert-butanol 689.48
    MTBE 808.55
    2-butoxyethanol 472.41
    propionic acid 251.6
    o-xylene 231.18
    formic acid 75.24
    diethyl ether 887.05
    m-xylene 293.91
    p-xylene 263.28
    chlorobenzene 411.8
    dimethyl carbonate 83.39
    n-octane 64.1
    formamide 101.19
    cyclopentanone 632.37
    2-pentanone 512.34
    anisole 295.27
    cyclopentyl methyl ether 605.68
    gamma-butyrolactone 565.46
    1-methoxy-2-propanol 414.01
    pyridine 689.79
    3-pentanone 322.64
    furfural 499.96
    n-dodecane 33.39
    diethylene glycol 262.63
    diisopropyl ether 291.52
    tert-amyl alcohol 549.88
    acetylacetone 299.71
    n-hexadecane 38.94
    acetophenone 244.78
    methyl propionate 254.91
    isopentyl acetate 642.98
    trichloroethylene 899.33
    n-nonanol 279.53
    cyclohexanol 497.52
    benzyl alcohol 244.28
    2-ethylhexanol 501.04
    isooctanol 290.12
    dipropyl ether 646.22
    1,2-dichlorobenzene 321.94
    ethyl lactate 121.34
    propylene carbonate 366.21
    n-methylformamide 195.21
    2-pentanol 505.46
    n-pentane 247.24
    1-propoxy-2-propanol 595.67
    1-methoxy-2-propyl acetate 424.73
    2-(2-methoxypropoxy) propanol 303.76
    mesitylene 195.15
    ε-caprolactone 530.72
    p-cymene 208.53
    epichlorohydrin 700.95
    1,1,1-trichloroethane 624.58
    2-aminoethanol 139.56
    morpholine-4-carbaldehyde 421.42
    sulfolane 429.59
    2,2,4-trimethylpentane 94.91
    2-methyltetrahydrofuran 1033.67
    n-hexyl acetate 508.68
    isooctane 91.61
    2-(2-butoxyethoxy)ethanol 481.48
    sec-butyl acetate 270.22
    tert-butyl acetate 365.83
    decalin 110.29
    glycerin 104.3
    diglyme 757.36
    acrylic acid 163.65
    isopropyl myristate 180.49
    n-butyric acid 563.32
    acetyl acetate 222.43
    di(2-ethylhexyl) phthalate 161.03
    ethyl propionate 259.52
    nitromethane 322.07
    1,2-diethoxyethane 676.62
    benzonitrile 406.52
    trioctyl phosphate 130.19
    1-bromopropane 607.42
    gamma-valerolactone 674.14
    n-decanol 190.19
    triethyl phosphate 147.07
    4-methyl-2-pentanol 315.09
    propionitrile 539.98
    vinylene carbonate 306.62
    1,1,2-trichlorotrifluoroethane 357.83
    DMS 196.97
    cumene 163.18
    2-octanol 237.86
    2-hexanone 409.64
    octyl acetate 219.36
    limonene 314.23
    1,2-dimethoxyethane 654.34
    ethyl orthosilicate 171.03
    tributyl phosphate 161.74
    diacetone alcohol 318.96
    N,N-dimethylaniline 202.45
    acrylonitrile 374.77
    aniline 377.89
    1,3-propanediol 306.84
    bromobenzene 453.9
    dibromomethane 804.24
    1,1,2,2-tetrachloroethane 702.48
    2-methyl-cyclohexyl acetate 312.42
    tetrabutyl urea 170.88
    diisobutyl methanol 288.93
    2-phenylethanol 344.63
    styrene 246.71
    dioctyl adipate 206.63
    dimethyl sulfate 97.03
    ethyl butyrate 415.87
    methyl lactate 104.95
    butyl lactate 253.6
    diethyl carbonate 226.87
    propanediol butyl ether 336.17
    triethyl orthoformate 307.98
    p-tert-butyltoluene 207.51
    methyl 4-tert-butylbenzoate 257.35
    morpholine 1014.9
    tert-butylamine 631.68
    n-dodecanol 136.78
    dimethoxymethane 341.62
    ethylene carbonate 288.11
    cyrene 218.84
    2-ethoxyethyl acetate 399.68
    2-ethylhexyl acetate 536.51
    1,2,4-trichlorobenzene 352.44
    4-methylpyridine 673.02
    dibutyl ether 427.61
    2,6-dimethyl-4-heptanol 288.93
    DEF 371.39
    dimethyl isosorbide 439.72
    tetrachloroethylene 503.14
    eugenol 234.22
    triacetin 288.88
    span 80 313.59
    1,4-butanediol 103.12
    1,1-dichloroethane 656.59
    2-methyl-1-pentanol 376.92
    methyl formate 135.18
    2-methyl-1-butanol 536.85
    n-decane 71.66
    butyronitrile 746.96
    3,7-dimethyl-1-octanol 328.29
    1-chlorooctane 234.41
    1-chlorotetradecane 78.68
    n-nonane 74.61
    undecane 46.13
    tert-butylcyclohexane 109.76
    cyclooctane 119.08
    cyclopentanol 414.92
    tetrahydropyran 1207.31
    tert-amyl methyl ether 468.3
    2,5,8-trioxanonane 431.2
    1-hexene 524.23
    2-isopropoxyethanol 264.75
    2,2,2-trifluoroethanol 79.32
    methyl butyrate 350.82

    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