Bisabolone oxide A

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    22567-38-0

    Molecular formula
    C15H24O2

    SMILES
    CC1=CC[C@H](CC1)[C@@]2(CCC(=O)C(O2)(C)C)C

    Retention indicies (RI)

    • DB5: 1682.0

  • Odor profile

    Woody 62.38%
    Floral 53.33%
    Herbal 48.49%
    Sweet 47.81%
    Fresh 44.54%
    Mint 40.28%
    Tobacco 38.77%
    Citrus 34.78%
    Spicy 34.76%
    Camphoreous 34.7%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.42 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point est.
    112.73 ˚C

  • Synonyms

    • Bisabolone oxide A
    • 22567-38-0
    • [S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one
    • (6S)-2,2,6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-one
    • (S)-2,2,6-Trimethyl-6-((S)-4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-3(4H)-one
    • alpha-Bisabolone oxide A
    • (-)-.alpha.-Bisabolonoxide
    • HY-N8120
    • AKOS040757506
    • CS-0140166
    • E88962
    • Q67879738
    • 2H-Pyran-3(4H)-one, dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,R*)]-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 321.01
    methanol 349.42
    isopropanol 305.5
    water 1.55
    ethyl acetate 524.25
    n-propanol 299.95
    acetone 413.95
    n-butanol 312.29
    acetonitrile 460.65
    DMF 549.96
    toluene 771.76
    isobutanol 267.19
    1,4-dioxane 894.65
    methyl acetate 460.64
    THF 902.49
    2-butanone 451.89
    n-pentanol 203.75
    sec-butanol 252.12
    n-hexane 46.09
    ethylene glycol 46.84
    NMP 512.73
    cyclohexane 138.58
    DMSO 330.66
    n-butyl acetate 434.08
    n-octanol 174.45
    chloroform 1960.31
    n-propyl acetate 273.55
    acetic acid 303.17
    dichloromethane 1483.62
    cyclohexanone 732.66
    propylene glycol 81.03
    isopropyl acetate 399.4
    DMAc 610.05
    2-ethoxyethanol 267.29
    isopentanol 315.95
    n-heptane 35.63
    ethyl formate 278.46
    1,2-dichloroethane 676.7
    n-hexanol 319.85
    2-methoxyethanol 392.96
    isobutyl acetate 237.84
    tetrachloromethane 295.63
    n-pentyl acetate 292.21
    transcutol 1416.99
    n-heptanol 170.87
    ethylbenzene 321.68
    MIBK 288.3
    2-propoxyethanol 456.76
    tert-butanol 342.35
    MTBE 426.01
    2-butoxyethanol 278.94
    propionic acid 245.44
    o-xylene 407.04
    formic acid 105.27
    diethyl ether 420.57
    m-xylene 466.58
    p-xylene 413.33
    chlorobenzene 646.24
    dimethyl carbonate 188.08
    n-octane 17.2
    formamide 157.32
    cyclopentanone 613.38
    2-pentanone 385.67
    anisole 461.09
    cyclopentyl methyl ether 480.8
    gamma-butyrolactone 654.7
    1-methoxy-2-propanol 332.82
    pyridine 726.3
    3-pentanone 365.41
    furfural 659.23
    n-dodecane 16.82
    diethylene glycol 294.95
    diisopropyl ether 168.9
    tert-amyl alcohol 277.5
    acetylacetone 459.7
    n-hexadecane 20.39
    acetophenone 407.59
    methyl propionate 366.72
    isopentyl acetate 415.13
    trichloroethylene 1386.29
    n-nonanol 161.03
    cyclohexanol 376.26
    benzyl alcohol 323.76
    2-ethylhexanol 203.14
    isooctanol 150.45
    dipropyl ether 209.33
    1,2-dichlorobenzene 590.81
    ethyl lactate 139.15
    propylene carbonate 443.77
    n-methylformamide 242.54
    2-pentanol 221.43
    n-pentane 52.33
    1-propoxy-2-propanol 328.45
    1-methoxy-2-propyl acetate 424.8
    2-(2-methoxypropoxy) propanol 325.64
    mesitylene 273.38
    ε-caprolactone 661.69
    p-cymene 175.4
    epichlorohydrin 787.65
    1,1,1-trichloroethane 755.28
    2-aminoethanol 131.24
    morpholine-4-carbaldehyde 711.63
    sulfolane 572.6
    2,2,4-trimethylpentane 40.11
    2-methyltetrahydrofuran 700.76
    n-hexyl acetate 418.39
    isooctane 31.32
    2-(2-butoxyethoxy)ethanol 419.48
    sec-butyl acetate 248.12
    tert-butyl acetate 372.54
    decalin 75.12
    glycerin 118.26
    diglyme 769.58
    acrylic acid 208.87
    isopropyl myristate 163.15
    n-butyric acid 392.11
    acetyl acetate 412.12
    di(2-ethylhexyl) phthalate 168.02
    ethyl propionate 264.18
    nitromethane 460.5
    1,2-diethoxyethane 486.43
    benzonitrile 529.37
    trioctyl phosphate 116.9
    1-bromopropane 462.61
    gamma-valerolactone 825.01
    n-decanol 114.83
    triethyl phosphate 155.38
    4-methyl-2-pentanol 165.49
    propionitrile 379.72
    vinylene carbonate 485.07
    1,1,2-trichlorotrifluoroethane 465.21
    DMS 371.79
    cumene 207.44
    2-octanol 126.03
    2-hexanone 274.82
    octyl acetate 203.05
    limonene 218.97
    1,2-dimethoxyethane 497.99
    ethyl orthosilicate 155.74
    tributyl phosphate 147.88
    diacetone alcohol 307.82
    N,N-dimethylaniline 307.9
    acrylonitrile 419.68
    aniline 543.32
    1,3-propanediol 211.35
    bromobenzene 747.99
    dibromomethane 925.77
    1,1,2,2-tetrachloroethane 1118.06
    2-methyl-cyclohexyl acetate 260.77
    tetrabutyl urea 170.9
    diisobutyl methanol 128.1
    2-phenylethanol 353.69
    styrene 384.17
    dioctyl adipate 216.76
    dimethyl sulfate 244.81
    ethyl butyrate 285.84
    methyl lactate 166.5
    butyl lactate 210.7
    diethyl carbonate 215.96
    propanediol butyl ether 260.64
    triethyl orthoformate 212.35
    p-tert-butyltoluene 168.43
    methyl 4-tert-butylbenzoate 332.83
    morpholine 787.4
    tert-butylamine 266.73
    n-dodecanol 85.71
    dimethoxymethane 422.79
    ethylene carbonate 419.9
    cyrene 260.97
    2-ethoxyethyl acetate 417.31
    2-ethylhexyl acetate 352.89
    1,2,4-trichlorobenzene 629.03
    4-methylpyridine 894.33
    dibutyl ether 223.5
    2,6-dimethyl-4-heptanol 128.1
    DEF 410.22
    dimethyl isosorbide 498.44
    tetrachloroethylene 697.72
    eugenol 293.8
    triacetin 407.61
    span 80 267.63
    1,4-butanediol 86.52
    1,1-dichloroethane 766.26
    2-methyl-1-pentanol 229.61
    methyl formate 200.11
    2-methyl-1-butanol 284.87
    n-decane 29.69
    butyronitrile 426.98
    3,7-dimethyl-1-octanol 194.92
    1-chlorooctane 141.48
    1-chlorotetradecane 56.32
    n-nonane 26.23
    undecane 21.45
    tert-butylcyclohexane 63.09
    cyclooctane 51.88
    cyclopentanol 298.71
    tetrahydropyran 760.31
    tert-amyl methyl ether 300.02
    2,5,8-trioxanonane 497.43
    1-hexene 160.02
    2-isopropoxyethanol 221.16
    2,2,2-trifluoroethanol 136.68
    methyl butyrate 313.84

    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
Chamomile, german (Brazil) 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 5.21%
Chamomile, german (Germany) 1 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 4.1%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 1.15%
Chamomile, german (Egypt) 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 1.55%
Chamomile, german (Italy) 1 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 8.0%
Chamomile, german (Italy) 2 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 7.76%
Chamomile, german (Greece) 1a 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 5.6%
Chamomile, german (Greece) 1b 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 9.0%
Santolina ligustica (Italy) Santolina ligustica Arrigonia, fam. Asteraceae (Compositae) 1.4%
Chamomile, german (India) 1 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.6%
Chamomile, german (India) 2a whole flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.6%
Chamomile, german (India) 2b leaf 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 2.1%
Chamomile, german (India) 2c stem 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 2.0%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 1.0%