alpha-Bisabolol, (+)-epi-

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  • Identifiers

    CAS number
    76738-75-5

    Molecular formula
    C15H26O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 85.46%
    Sweet 63.07%
    Fruity 62.64%
    Rose 49.08%
    Woody 48.9%
    Citrus 47.54%
    Balsamic 46.01%
    Fresh 44.95%
    Tropical 39.39%
    Herbal 38.76%

     

    Flavor
    Floral 73.49%
    Flower 48.41%
    Woody 44.6%
    Wood 40.41%
    Citrus 40.13%
    Sweet 39.8%
    Green 39.75%
    Fresh 38.22%
    Mild 37.2%
    Herbal 33.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.8 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 119.29 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Slightly soluble (in ethanol)

  • Synonyms

    • (+)-epi-alpha-bisabolol
    • 76738-75-5
    • alpha-Bisabolol
    • (+)-anymol
    • (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
    • U799YDE8BR
    • alpha-Bisabolol, (+)-epi-
    • CHEBI:68658
    • (+)-epi-alpha-Bisabolol [MI]
    • 515-69-5
    • (+)-EPI-.ALPHA.-BISABOLOL
    • .ALPHA.-BISABOLOL, (+)-EPI-
    • (+)-EPI-.ALPHA.-BISABOLOL [MI]
    • 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-penten-1-yl)-, (alphaS,1R)-
    • (S)-6-Methyl-2-((R)-4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
    • 3-CYCLOHEXENE-1-METHANOL, .ALPHA.,4-DIMETHYL-.ALPHA.-(4-METHYL-3-PENTEN-1-YL)-, (.ALPHA.S,1R)-
    • 7-epi-.alpha.-Bisabolol
    • UNII-U799YDE8BR
    • 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol
    • R-bisabolol
    • NSC606842
    • (2S)-6-Methyl-2-((1R)-4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
    • alpha -Bisabolol
    • CHEMBL519167
    • SCHEMBL1245143
    • RGZSQWQPBWRIAQ-GJZGRUSLSA-N
    • AKOS025295411
    • C20479
    • D88898
    • Q27137086

  • Applications

    alpha-Bisabolol, (+)-epi- is widely used as a fragrance ingredient in perfumery and as a skin-conditioning emollient in cosmetics and personal care formulations; it can also function as a fragrance fixative to help stabilize scents. It is commonly included in household products such as scented cleaners and laundry detergents to impart chamomile-like notes. It may serve as an intermediate or building block in the synthesis of fragrance compounds for specialty scents. In industrial applications, it is encountered as a minor fragrance additive in coatings, inks, and plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1075.02
    methanol 606.33
    isopropanol 870.56
    water 0.24
    ethyl acetate 1211.98
    n-propanol 720.87
    acetone 651.78
    n-butanol 884.47
    acetonitrile 409.15
    DMF 353.23
    toluene 655.12
    isobutanol 481.98
    1,4-dioxane 2053.23
    methyl acetate 626.77
    THF 2628.43
    2-butanone 742.97
    n-pentanol 499.17
    sec-butanol 627.78
    n-hexane 235.15
    ethylene glycol 30.07
    NMP 288.14
    cyclohexane 421.04
    DMSO 319.34
    n-butyl acetate 1076.36
    n-octanol 384.0
    chloroform 1362.19
    n-propyl acetate 546.04
    acetic acid 301.72
    dichloromethane 1008.09
    cyclohexanone 837.94
    propylene glycol 96.02
    isopropyl acetate 845.27
    DMAc 450.12
    2-ethoxyethanol 513.31
    isopentanol 759.1
    n-heptane 245.44
    ethyl formate 351.86
    1,2-dichloroethane 614.57
    n-hexanol 981.08
    2-methoxyethanol 828.46
    isobutyl acetate 414.35
    tetrachloromethane 216.57
    n-pentyl acetate 508.49
    transcutol 3199.18
    n-heptanol 400.93
    ethylbenzene 298.22
    MIBK 577.11
    2-propoxyethanol 1100.14
    tert-butanol 1043.46
    MTBE 1586.38
    2-butoxyethanol 586.16
    propionic acid 247.32
    o-xylene 312.94
    formic acid 58.35
    diethyl ether 1823.61
    m-xylene 417.36
    p-xylene 349.21
    chlorobenzene 440.4
    dimethyl carbonate 141.42
    n-octane 75.17
    formamide 101.21
    cyclopentanone 666.97
    2-pentanone 811.34
    anisole 537.24
    cyclopentyl methyl ether 1023.87
    gamma-butyrolactone 565.88
    1-methoxy-2-propanol 757.32
    pyridine 905.18
    3-pentanone 507.94
    furfural 482.2
    n-dodecane 52.58
    diethylene glycol 373.14
    diisopropyl ether 609.0
    tert-amyl alcohol 680.51
    acetylacetone 647.0
    n-hexadecane 60.22
    acetophenone 335.57
    methyl propionate 512.86
    isopentyl acetate 1002.42
    trichloroethylene 908.25
    n-nonanol 362.73
    cyclohexanol 605.63
    benzyl alcohol 271.74
    2-ethylhexanol 578.21
    isooctanol 317.8
    dipropyl ether 1122.95
    1,2-dichlorobenzene 357.45
    ethyl lactate 158.5
    propylene carbonate 414.32
    n-methylformamide 160.82
    2-pentanol 632.3
    n-pentane 230.38
    1-propoxy-2-propanol 912.08
    1-methoxy-2-propyl acetate 984.82
    2-(2-methoxypropoxy) propanol 609.78
    mesitylene 280.21
    ε-caprolactone 767.79
    p-cymene 239.5
    epichlorohydrin 904.46
    1,1,1-trichloroethane 673.87
    2-aminoethanol 139.57
    morpholine-4-carbaldehyde 731.76
    sulfolane 414.7
    2,2,4-trimethylpentane 99.33
    2-methyltetrahydrofuran 1733.33
    n-hexyl acetate 761.36
    isooctane 102.31
    2-(2-butoxyethoxy)ethanol 984.19
    sec-butyl acetate 473.21
    tert-butyl acetate 877.52
    decalin 144.0
    glycerin 126.43
    diglyme 1560.55
    acrylic acid 129.8
    isopropyl myristate 317.84
    n-butyric acid 726.67
    acetyl acetate 545.81
    di(2-ethylhexyl) phthalate 246.79
    ethyl propionate 459.57
    nitromethane 362.94
    1,2-diethoxyethane 1638.51
    benzonitrile 375.28
    trioctyl phosphate 172.46
    1-bromopropane 668.99
    gamma-valerolactone 977.3
    n-decanol 261.12
    triethyl phosphate 238.81
    4-methyl-2-pentanol 418.85
    propionitrile 472.56
    vinylene carbonate 355.68
    1,1,2-trichlorotrifluoroethane 359.6
    DMS 361.94
    cumene 205.59
    2-octanol 259.49
    2-hexanone 530.79
    octyl acetate 369.03
    limonene 384.73
    1,2-dimethoxyethane 1178.27
    ethyl orthosilicate 271.66
    tributyl phosphate 212.46
    diacetone alcohol 602.07
    N,N-dimethylaniline 320.03
    acrylonitrile 311.31
    aniline 497.58
    1,3-propanediol 390.19
    bromobenzene 502.1
    dibromomethane 768.17
    1,1,2,2-tetrachloroethane 807.28
    2-methyl-cyclohexyl acetate 494.62
    tetrabutyl urea 256.94
    diisobutyl methanol 336.49
    2-phenylethanol 465.48
    styrene 339.89
    dioctyl adipate 394.62
    dimethyl sulfate 143.21
    ethyl butyrate 729.92
    methyl lactate 159.84
    butyl lactate 299.94
    diethyl carbonate 411.75
    propanediol butyl ether 430.14
    triethyl orthoformate 516.69
    p-tert-butyltoluene 264.06
    methyl 4-tert-butylbenzoate 410.41
    morpholine 2082.86
    tert-butylamine 809.4
    n-dodecanol 195.88
    dimethoxymethane 688.7
    ethylene carbonate 354.24
    cyrene 273.73
    2-ethoxyethyl acetate 702.52
    2-ethylhexyl acetate 775.18
    1,2,4-trichlorobenzene 381.28
    4-methylpyridine 871.27
    dibutyl ether 792.42
    2,6-dimethyl-4-heptanol 336.49
    DEF 601.99
    dimethyl isosorbide 866.78
    tetrachloroethylene 487.52
    eugenol 336.25
    triacetin 515.95
    span 80 559.54
    1,4-butanediol 90.45
    1,1-dichloroethane 719.58
    2-methyl-1-pentanol 454.97
    methyl formate 110.79
    2-methyl-1-butanol 563.51
    n-decane 101.04
    butyronitrile 728.23
    3,7-dimethyl-1-octanol 434.31
    1-chlorooctane 293.51
    1-chlorotetradecane 118.41
    n-nonane 101.04
    undecane 70.12
    tert-butylcyclohexane 146.49
    cyclooctane 155.29
    cyclopentanol 399.2
    tetrahydropyran 2327.64
    tert-amyl methyl ether 819.7
    2,5,8-trioxanonane 1003.88
    1-hexene 578.7
    2-isopropoxyethanol 413.4
    2,2,2-trifluoroethanol 60.58
    methyl butyrate 547.81

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.42 % Category 7A
Rinse-off products applied to the hair with some hand contact
 3 %
Category 2
Products applied to the axillae
 0.13 % Category 7B
Leave-on products applied to the hair with some hand contact
 3 %
Category 3
Products applied to the face/body using fingertips
 2.5 % Category 8
Products with significant anogenital exposure
 0.2 %
Category 4
Products related to fine fragrance
 2.4 % Category 9
Products with body and hand exposure, primarily rinse off
 4.6 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.6 % Category 10A
Household care products with mostly hand contact
 4.6 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.6 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 17 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.6 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.2 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.2 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.2 %
Category 6
Products with oral and lip exposure
 1.4 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction