Bisabolene oxide

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  • Identifiers

    CAS number
    38970-57-9

    Molecular formula
    C15H24O

    SMILES
    CC1CC(OC12CCC(=CC2)C)C=C(C)C

    Retention indicies (RI)

    • Carbowax: 1959.0

  • Odor profile

    Herbal 72.25%
    Floral 55.66%
    Fresh 53.44%
    Green 52.73%
    Citrus 51.9%
    Spicy 48.25%
    Mint 47.43%
    Woody 37.93%
    Grapefruit 37.4%
    Lemon 36.01%

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  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    286°C

    Flash point est.
    92.52 ˚C

  • Synonyms

    • bisabolene oxide
    • 38970-57-9
    • 1-Oxaspiro(4.5)dec-7-ene, 4,8-dimethyl-2-(2-methyl-1-propenyl)-
    • 4,8-dimethyl-2-(2-methylprop-1-en-1-yl)-1-oxaspiro[4.5]dec-7-ene
    • 4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
    • 4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro(4.5)dec-7-ene
    • DTXSID20959824
    • CHEBI:195967

  • Applications

    Bisabolene oxide (CAS 38970-57-9) is a sesquiterpene oxide with a warm woody, slightly herbal–floral odor; it is used as a fragrance ingredient in fine fragrances, soaps and personal care, and as a low-level flavor modifier in foods and beverages to add warmth and roundness; in cosmetics it is explored as a soothing, barrier-supporting agent due to reported anti-inflammatory, antioxidant and antimicrobial activities; in agriculture and biopreservation it has been investigated as an insect-repellent and antimicrobial component; in natural products it serves as a chemotaxonomic marker of certain essential oils (e.g., from Asteraceae, Zingiberaceae and resinous gums) and as an intermediate for sesquiterpene derivatization; it is also employed as an analytical standard and reference compound in flavor–essential oil and phytopharmacology research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.7
    methanol 158.01
    isopropanol 258.91
    water 0.54
    ethyl acetate 479.95
    n-propanol 260.08
    acetone 194.36
    n-butanol 376.78
    acetonitrile 194.42
    DMF 113.55
    toluene 758.64
    isobutanol 238.59
    1,4-dioxane 985.27
    methyl acetate 278.83
    THF 960.18
    2-butanone 316.08
    n-pentanol 288.08
    sec-butanol 285.77
    n-hexane 221.77
    ethylene glycol 21.18
    NMP 182.93
    cyclohexane 418.47
    DMSO 117.78
    n-butyl acetate 611.55
    n-octanol 301.67
    chloroform 1605.77
    n-propyl acetate 303.2
    acetic acid 158.05
    dichloromethane 1008.08
    cyclohexanone 515.84
    propylene glycol 55.09
    isopropyl acetate 423.85
    DMAc 238.71
    2-ethoxyethanol 239.81
    isopentanol 407.33
    n-heptane 213.7
    ethyl formate 180.37
    1,2-dichloroethane 467.51
    n-hexanol 562.4
    2-methoxyethanol 269.93
    isobutyl acetate 309.89
    tetrachloromethane 315.74
    n-pentyl acetate 359.82
    transcutol 1308.57
    n-heptanol 280.56
    ethylbenzene 394.2
    MIBK 310.57
    2-propoxyethanol 523.76
    tert-butanol 336.21
    MTBE 546.6
    2-butoxyethanol 331.97
    propionic acid 144.03
    o-xylene 411.27
    formic acid 33.39
    diethyl ether 621.29
    m-xylene 482.91
    p-xylene 483.97
    chlorobenzene 548.87
    dimethyl carbonate 92.78
    n-octane 76.73
    formamide 49.61
    cyclopentanone 348.13
    2-pentanone 331.52
    anisole 478.84
    cyclopentyl methyl ether 581.28
    gamma-butyrolactone 318.87
    1-methoxy-2-propanol 298.4
    pyridine 643.88
    3-pentanone 281.24
    furfural 327.46
    n-dodecane 68.17
    diethylene glycol 212.07
    diisopropyl ether 284.41
    tert-amyl alcohol 325.55
    acetylacetone 323.69
    n-hexadecane 78.57
    acetophenone 366.67
    methyl propionate 248.14
    isopentyl acetate 617.55
    trichloroethylene 901.94
    n-nonanol 302.76
    cyclohexanol 422.98
    benzyl alcohol 301.75
    2-ethylhexanol 438.47
    isooctanol 250.11
    dipropyl ether 518.38
    1,2-dichlorobenzene 472.11
    ethyl lactate 126.98
    propylene carbonate 301.56
    n-methylformamide 64.53
    2-pentanol 320.68
    n-pentane 190.27
    1-propoxy-2-propanol 468.34
    1-methoxy-2-propyl acetate 506.49
    2-(2-methoxypropoxy) propanol 419.8
    mesitylene 325.87
    ε-caprolactone 539.31
    p-cymene 301.67
    epichlorohydrin 505.53
    1,1,1-trichloroethane 636.13
    2-aminoethanol 70.94
    morpholine-4-carbaldehyde 347.24
    sulfolane 256.14
    2,2,4-trimethylpentane 108.68
    2-methyltetrahydrofuran 841.1
    n-hexyl acetate 563.96
    isooctane 90.79
    2-(2-butoxyethoxy)ethanol 535.18
    sec-butyl acetate 335.0
    tert-butyl acetate 432.83
    decalin 187.97
    glycerin 68.34
    diglyme 828.51
    acrylic acid 92.54
    isopropyl myristate 281.73
    n-butyric acid 360.34
    acetyl acetate 340.31
    di(2-ethylhexyl) phthalate 242.49
    ethyl propionate 291.02
    nitromethane 156.8
    1,2-diethoxyethane 734.53
    benzonitrile 365.19
    trioctyl phosphate 156.79
    1-bromopropane 536.94
    gamma-valerolactone 483.26
    n-decanol 226.02
    triethyl phosphate 203.62
    4-methyl-2-pentanol 252.78
    propionitrile 232.06
    vinylene carbonate 293.75
    1,1,2-trichlorotrifluoroethane 286.14
    DMS 302.61
    cumene 290.22
    2-octanol 204.57
    2-hexanone 298.54
    octyl acetate 327.52
    limonene 387.16
    1,2-dimethoxyethane 508.94
    ethyl orthosilicate 227.53
    tributyl phosphate 187.51
    diacetone alcohol 302.9
    N,N-dimethylaniline 331.64
    acrylonitrile 173.88
    aniline 453.95
    1,3-propanediol 160.1
    bromobenzene 689.45
    dibromomethane 830.58
    1,1,2,2-tetrachloroethane 831.17
    2-methyl-cyclohexyl acetate 428.62
    tetrabutyl urea 209.46
    diisobutyl methanol 235.83
    2-phenylethanol 425.48
    styrene 446.8
    dioctyl adipate 334.25
    dimethyl sulfate 90.95
    ethyl butyrate 443.41
    methyl lactate 104.33
    butyl lactate 221.98
    diethyl carbonate 296.74
    propanediol butyl ether 257.38
    triethyl orthoformate 362.53
    p-tert-butyltoluene 288.58
    methyl 4-tert-butylbenzoate 358.33
    morpholine 820.43
    tert-butylamine 307.98
    n-dodecanol 179.94
    dimethoxymethane 233.63
    ethylene carbonate 284.46
    cyrene 229.16
    2-ethoxyethyl acetate 435.85
    2-ethylhexyl acetate 549.85
    1,2,4-trichlorobenzene 538.06
    4-methylpyridine 665.22
    dibutyl ether 468.9
    2,6-dimethyl-4-heptanol 235.83
    DEF 280.65
    dimethyl isosorbide 576.86
    tetrachloroethylene 531.0
    eugenol 298.98
    triacetin 436.93
    span 80 378.46
    1,4-butanediol 63.63
    1,1-dichloroethane 566.14
    2-methyl-1-pentanol 337.36
    methyl formate 49.94
    2-methyl-1-butanol 345.19
    n-decane 113.88
    butyronitrile 357.74
    3,7-dimethyl-1-octanol 348.08
    1-chlorooctane 289.75
    1-chlorotetradecane 138.75
    n-nonane 106.01
    undecane 83.48
    tert-butylcyclohexane 155.79
    cyclooctane 186.5
    cyclopentanol 262.86
    tetrahydropyran 1112.31
    tert-amyl methyl ether 408.6
    2,5,8-trioxanonane 572.82
    1-hexene 418.64
    2-isopropoxyethanol 241.26
    2,2,2-trifluoroethanol 56.17
    methyl butyrate 312.55

    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
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.62%
Psidium sartorianum leaf Psidium sartorianum (Berg) Niedenzu, fam. Myrtaceae 0.34%
Eupatorium cannabinum Eupatorium cannabinum L. ssp. cannabinum, fam. Astercaceae (Compositae) 1.1%
Artemisia variabilis (Italy) Artemisia variabilis Ten., fam. Asteraceae (Compositae) 0.05%
Artemisia campestris, ssp. glutinosa (Italy) Artemisia campestris L. ssp. glutinosa (Ten.) Briq. et Cavill., Asteraceae 1.0%