Bisabola-3,10-dien-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    61432-71-1

    Molecular formula
    C15H24O

    SMILES
    CC1=CC(=O)[C@H](CC1)[C@@H](C)CCC=C(C)C

    Retention indicies (RI)

    • DB5: 1744.0

  • Odor profile

    Fruity 76.33%
    Floral 60.38%
    Sweet 51.2%
    Woody 48.75%
    Herbal 45.08%
    Fresh 44.12%
    Spicy 43.38%
    Citrus 40.5%
    Rose 35.59%
    Mint 35.0%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point est.
    118.53 ˚C

  • Synonyms

    • 61432-71-1
    • Bisabola-3,10-dien-2-one
    • (6R)-3-Methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
    • 6R,7R-Bisabolone
    • KNOUERLLBMJGLF-UONOGXRCSA-N
    • AKOS040761415
    • CS-0158765
    • (R)-3-Methyl-6?-[(1S)-1,5-dimethyl-4-hexenyl]-2-cyclohexene-1-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1301.15
    methanol 851.33
    isopropanol 1360.03
    water 0.16
    ethyl acetate 1202.5
    n-propanol 1036.99
    acetone 1269.41
    n-butanol 1128.56
    acetonitrile 1024.64
    DMF 741.98
    toluene 880.95
    isobutanol 800.16
    1,4-dioxane 2115.08
    methyl acetate 788.05
    THF 2454.41
    2-butanone 1134.48
    n-pentanol 666.56
    sec-butanol 963.07
    n-hexane 346.35
    ethylene glycol 36.14
    NMP 579.96
    cyclohexane 573.29
    DMSO 455.03
    n-butyl acetate 1169.14
    n-octanol 356.5
    chloroform 2512.49
    n-propyl acetate 654.32
    acetic acid 459.03
    dichloromethane 1815.4
    cyclohexanone 1485.18
    propylene glycol 122.28
    isopropyl acetate 818.87
    DMAc 567.73
    2-ethoxyethanol 489.09
    isopentanol 992.46
    n-heptane 178.63
    ethyl formate 490.59
    1,2-dichloroethane 1166.0
    n-hexanol 1097.78
    2-methoxyethanol 796.03
    isobutyl acetate 460.57
    tetrachloromethane 372.07
    n-pentyl acetate 541.51
    transcutol 2583.86
    n-heptanol 378.46
    ethylbenzene 399.57
    MIBK 664.44
    2-propoxyethanol 1026.79
    tert-butanol 1379.86
    MTBE 1589.69
    2-butoxyethanol 520.86
    propionic acid 395.14
    o-xylene 433.03
    formic acid 70.66
    diethyl ether 1785.66
    m-xylene 589.11
    p-xylene 484.39
    chlorobenzene 826.4
    dimethyl carbonate 167.14
    n-octane 69.23
    formamide 113.44
    cyclopentanone 1197.6
    2-pentanone 1083.98
    anisole 577.3
    cyclopentyl methyl ether 1080.08
    gamma-butyrolactone 973.45
    1-methoxy-2-propanol 759.89
    pyridine 1353.31
    3-pentanone 644.98
    furfural 755.15
    n-dodecane 42.74
    diethylene glycol 377.45
    diisopropyl ether 526.93
    tert-amyl alcohol 907.48
    acetylacetone 759.6
    n-hexadecane 51.35
    acetophenone 436.74
    methyl propionate 571.71
    isopentyl acetate 986.14
    trichloroethylene 2019.32
    n-nonanol 314.58
    cyclohexanol 982.85
    benzyl alcohol 425.68
    2-ethylhexanol 570.6
    isooctanol 316.37
    dipropyl ether 778.62
    1,2-dichlorobenzene 601.86
    ethyl lactate 200.21
    propylene carbonate 612.43
    n-methylformamide 297.49
    2-pentanol 866.87
    n-pentane 277.34
    1-propoxy-2-propanol 871.55
    1-methoxy-2-propyl acetate 772.11
    2-(2-methoxypropoxy) propanol 478.75
    mesitylene 361.0
    ε-caprolactone 1082.32
    p-cymene 251.23
    epichlorohydrin 1426.49
    1,1,1-trichloroethane 1372.84
    2-aminoethanol 163.44
    morpholine-4-carbaldehyde 809.69
    sulfolane 672.26
    2,2,4-trimethylpentane 102.89
    2-methyltetrahydrofuran 1918.99
    n-hexyl acetate 768.12
    isooctane 105.87
    2-(2-butoxyethoxy)ethanol 746.34
    sec-butyl acetate 503.34
    tert-butyl acetate 782.04
    decalin 171.68
    glycerin 134.18
    diglyme 1229.2
    acrylic acid 227.25
    isopropyl myristate 282.76
    n-butyric acid 952.47
    acetyl acetate 541.19
    di(2-ethylhexyl) phthalate 227.2
    ethyl propionate 505.54
    nitromethane 600.97
    1,2-diethoxyethane 1218.09
    benzonitrile 689.55
    trioctyl phosphate 164.26
    1-bromopropane 1086.13
    gamma-valerolactone 1335.75
    n-decanol 220.12
    triethyl phosphate 208.84
    4-methyl-2-pentanol 466.54
    propionitrile 841.98
    vinylene carbonate 523.74
    1,1,2-trichlorotrifluoroethane 578.09
    DMS 405.44
    cumene 265.03
    2-octanol 274.59
    2-hexanone 731.79
    octyl acetate 342.44
    limonene 398.97
    1,2-dimethoxyethane 1103.91
    ethyl orthosilicate 226.55
    tributyl phosphate 214.42
    diacetone alcohol 607.56
    N,N-dimethylaniline 341.83
    acrylonitrile 609.28
    aniline 746.85
    1,3-propanediol 400.17
    bromobenzene 889.48
    dibromomethane 1440.33
    1,1,2,2-tetrachloroethane 1602.18
    2-methyl-cyclohexyl acetate 437.76
    tetrabutyl urea 248.41
    diisobutyl methanol 314.35
    2-phenylethanol 556.05
    styrene 476.02
    dioctyl adipate 331.19
    dimethyl sulfate 178.15
    ethyl butyrate 625.44
    methyl lactate 178.61
    butyl lactate 332.73
    diethyl carbonate 357.44
    propanediol butyl ether 439.36
    triethyl orthoformate 402.45
    p-tert-butyltoluene 247.74
    methyl 4-tert-butylbenzoate 393.23
    morpholine 2317.83
    tert-butylamine 1030.15
    n-dodecanol 166.83
    dimethoxymethane 701.1
    ethylene carbonate 499.1
    cyrene 315.57
    2-ethoxyethyl acetate 682.46
    2-ethylhexyl acetate 720.65
    1,2,4-trichlorobenzene 652.15
    4-methylpyridine 1441.25
    dibutyl ether 651.54
    2,6-dimethyl-4-heptanol 314.35
    DEF 733.7
    dimethyl isosorbide 725.7
    tetrachloroethylene 943.8
    eugenol 357.7
    triacetin 489.09
    span 80 463.12
    1,4-butanediol 127.87
    1,1-dichloroethane 1608.7
    2-methyl-1-pentanol 604.76
    methyl formate 216.17
    2-methyl-1-butanol 833.25
    n-decane 84.49
    butyronitrile 1244.95
    3,7-dimethyl-1-octanol 403.57
    1-chlorooctane 304.74
    1-chlorotetradecane 112.47
    n-nonane 87.98
    undecane 57.32
    tert-butylcyclohexane 158.51
    cyclooctane 163.86
    cyclopentanol 697.43
    tetrahydropyran 2716.5
    tert-amyl methyl ether 789.56
    2,5,8-trioxanonane 719.57
    1-hexene 869.79
    2-isopropoxyethanol 401.7
    2,2,2-trifluoroethanol 103.31
    methyl butyrate 695.48

    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

Botanical

Name CAS Botanical Proportion
Amyris 2 8015-65-4 Amyris balsamifera L., fam. Rutaceae 0.6%
Santolina insularis (Italy) 1a CO2-extract Santolina insularis L., fam. Asteraceae (Compositae) 1.4%