(+)-Bakuchiol

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  • Identifiers

    CAS number
    10309-37-2

    Molecular formula
    C18H24O

    SMILES
    CC(=CCC[C@@](C)(C=C)/C=C/C1=CC=C(C=C1)O)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 55.41%
    Floral 48.71%
    Herbal 45.31%
    Balsamic 44.93%
    Sweet 44.44%
    Spicy 39.61%
    Citrus 38.68%
    Fresh 38.49%
    Green 32.02%
    Oily 29.59%

     

    Flavor
    Woody 44.48%
    Wood 38.05%
    Balsam 35.09%
    Herbal 31.15%
    Citrus 29.7%
    Balsamic 28.58%
    Herb 28.18%
    Spice 26.21%
    Oriental 22.19%
    Diterpene 22.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    9.55 (weak base)

    Molecular weight
    256.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 169.08 ˚C est.

  • Synonyms

    • Bakuchiol
    • 10309-37-2
    • (S)-Bakuchiol
    • (+)-Bakuchiol
    • Sytenol a
    • 4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol
    • OT12HJU3AR
    • 4-(3-Ethenyl-3,7-dimethyl-1,6-octadienyl)phenol
    • UP-256
    • DTXSID401035664
    • Phenol, 4-(3-ethenyl-3,7-dimethyl-1,6-octadienyl)-, (S-(E))-
    • 4-((1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl)phenol
    • RefChem:29256
    • DTXCID901519976
    • MFCD01707441
    • 4-(3,7-Dimethyl-3-vinylocta-1,6-dien-1-yl)phenol
    • (S,E)-4-(3,7-Dimethyl-3-vinylocta-1,6-dien-1-yl)phenol
    • Phenol, 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-1,6-octadienyl]-
    • UP 256
    • C18H24O
    • (S)-4-(3,7-dimethyl-3-vinylocta-1,6-dien-1-yl)phenol
    • Backuchiol
    • 4-[(1E,3S)-3,7-dimethyl-3-vinyl-octa-1,6-dienyl]phenol
    • 2197131-28-3
    • (S)-(+)-Bakuchiol
    • UNII-OT12HJU3AR
    • Bakuchiol?
    • NSC671195
    • PHENOL, 4-((1E,3S)-3-ETHENYL-3,7-DIMETHYL-1,6-OCTADIENYL)-
    • LFYJSSARVMHQJB-QIXNEVBVSA-N
    • Bakuchiol (Standard)
    • Bakuchiol [WHO-DD]
    • P-(3,7-dimethyl-3-vinylocta-trans-1,6-dimethyl) phenol
    • Bakuchiol, >=95%
    • Bakuchiol, analytical standard
    • CHEMBL262344
    • orb1304237
    • SCHEMBL9921172
    • HY-N0235R
    • GLXC-02596
    • 4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dien-1-yl]phenol
    • HY-N0235
    • BDBM50478311
    • AKOS015961387
    • CCG-207939
    • CCG-208650
    • CS-3749
    • EBC-312071
    • FB73917
    • NSC-671195
    • AC-13779
    • AC-33943
    • AS-67675
    • DA-61480
    • SY068327
    • ST50309258
    • Q4849590
    • BRD-K09785578-001-01-2
    • BRD-K09785578-001-02-0
    • 4-(3,7-DIMETHYL-3-VINYL-OCTA-1,6-DIENYL)-PHENOL
    • 4-((1E)(3S)-3,7-dimethyl-3-vinylocta-1,6-dienyl)phenol
    • 4-[(1e,3s)-3-ethenyl-3,7-dimethyl-1,6-octadien-1-yl]phenol
    • PHENOL, 4-((1E,3S)-3-ETHENYL-3,7-DIMETHYL-1,6-OCTADIEN-1-YL)-
    • 10309-37-2

  • Applications

    (+)-Bakuchiol, CAS 10309-37-2, is primarily used in cosmetics/personal care as a bioactive ingredient with antioxidant properties and retinol-like activity, incorporated into serums, creams, and masks; it is also studied in pharmaceutical research as a bioactive scaffold with anti-inflammatory and antimicrobial activities; it serves as a chemical intermediate for the synthesis of bakuchiol derivatives and analogs in medicinal chemistry programs; and it can be used as a quality-control marker for bakuchiol-rich natural extracts to standardize formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1245.43
    methanol 664.07
    isopropanol 625.54
    water 0.03
    ethyl acetate 1176.25
    n-propanol 827.84
    acetone 132.93
    n-butanol 786.55
    acetonitrile 166.79
    DMF 65.17
    toluene 268.92
    isobutanol 358.14
    1,4-dioxane 1108.48
    methyl acetate 369.85
    THF 1011.04
    2-butanone 503.94
    n-pentanol 477.23
    sec-butanol 694.34
    n-hexane 33.53
    ethylene glycol 19.0
    NMP 23.29
    cyclohexane 38.33
    DMSO 105.2
    n-butyl acetate 424.36
    n-octanol 110.12
    chloroform 493.12
    n-propyl acetate 295.87
    acetic acid 97.26
    dichloromethane 365.67
    cyclohexanone 206.54
    propylene glycol 123.53
    isopropyl acetate 569.11
    DMAc 180.23
    2-ethoxyethanol 681.92
    isopentanol 498.51
    n-heptane 31.37
    ethyl formate 164.21
    1,2-dichloroethane 255.63
    n-hexanol 518.98
    2-methoxyethanol 881.55
    isobutyl acetate 180.74
    tetrachloromethane 38.35
    n-pentyl acetate 180.61
    transcutol 2464.93
    n-heptanol 136.91
    ethylbenzene 135.0
    MIBK 286.49
    2-propoxyethanol 793.22
    tert-butanol 567.85
    MTBE 1052.41
    2-butoxyethanol 293.07
    propionic acid 119.27
    o-xylene 97.99
    formic acid 24.44
    diethyl ether 1674.2
    m-xylene 154.9
    p-xylene 95.91
    chlorobenzene 103.86
    dimethyl carbonate 60.07
    n-octane 9.8
    formamide 61.37
    cyclopentanone 119.52
    2-pentanone 462.97
    anisole 341.94
    cyclopentyl methyl ether 346.05
    gamma-butyrolactone 115.05
    1-methoxy-2-propanol 818.34
    pyridine 447.76
    3-pentanone 268.11
    furfural 121.31
    n-dodecane 6.99
    diethylene glycol 250.79
    diisopropyl ether 278.3
    tert-amyl alcohol 572.8
    acetylacetone 237.58
    n-hexadecane 8.11
    acetophenone 143.79
    methyl propionate 407.57
    isopentyl acetate 387.77
    trichloroethylene 356.14
    n-nonanol 111.35
    cyclohexanol 197.39
    benzyl alcohol 163.21
    2-ethylhexanol 221.28
    isooctanol 110.66
    dipropyl ether 581.25
    1,2-dichlorobenzene 78.58
    ethyl lactate 88.68
    propylene carbonate 91.72
    n-methylformamide 76.19
    2-pentanol 528.62
    n-pentane 41.48
    1-propoxy-2-propanol 626.41
    1-methoxy-2-propyl acetate 558.3
    2-(2-methoxypropoxy) propanol 326.96
    mesitylene 80.49
    ε-caprolactone 254.79
    p-cymene 71.16
    epichlorohydrin 434.46
    1,1,1-trichloroethane 191.81
    2-aminoethanol 142.5
    morpholine-4-carbaldehyde 188.63
    sulfolane 65.78
    2,2,4-trimethylpentane 24.05
    2-methyltetrahydrofuran 690.49
    n-hexyl acetate 237.04
    isooctane 22.5
    2-(2-butoxyethoxy)ethanol 534.38
    sec-butyl acetate 302.59
    tert-butyl acetate 506.68
    decalin 20.53
    glycerin 98.19
    diglyme 845.82
    acrylic acid 45.58
    isopropyl myristate 105.84
    n-butyric acid 384.22
    acetyl acetate 216.7
    di(2-ethylhexyl) phthalate 74.85
    ethyl propionate 317.5
    nitromethane 122.77
    1,2-diethoxyethane 1134.86
    benzonitrile 98.77
    trioctyl phosphate 43.91
    1-bromopropane 360.38
    gamma-valerolactone 305.57
    n-decanol 80.46
    triethyl phosphate 85.35
    4-methyl-2-pentanol 247.69
    propionitrile 257.17
    vinylene carbonate 78.98
    1,1,2-trichlorotrifluoroethane 151.03
    DMS 132.13
    cumene 79.06
    2-octanol 85.84
    2-hexanone 265.92
    octyl acetate 113.28
    limonene 101.29
    1,2-dimethoxyethane 937.91
    ethyl orthosilicate 108.44
    tributyl phosphate 61.98
    diacetone alcohol 365.18
    N,N-dimethylaniline 155.45
    acrylonitrile 148.68
    aniline 201.5
    1,3-propanediol 317.12
    bromobenzene 107.44
    dibromomethane 277.06
    1,1,2,2-tetrachloroethane 327.11
    2-methyl-cyclohexyl acetate 177.06
    tetrabutyl urea 71.06
    diisobutyl methanol 148.05
    2-phenylethanol 228.47
    styrene 139.95
    dioctyl adipate 135.1
    dimethyl sulfate 33.49
    ethyl butyrate 336.8
    methyl lactate 97.58
    butyl lactate 117.59
    diethyl carbonate 155.55
    propanediol butyl ether 197.17
    triethyl orthoformate 222.71
    p-tert-butyltoluene 79.62
    methyl 4-tert-butylbenzoate 151.78
    morpholine 1547.14
    tert-butylamine 345.59
    n-dodecanol 58.64
    dimethoxymethane 430.42
    ethylene carbonate 83.41
    cyrene 106.46
    2-ethoxyethyl acetate 358.45
    2-ethylhexyl acetate 277.47
    1,2,4-trichlorobenzene 90.26
    4-methylpyridine 306.12
    dibutyl ether 293.31
    2,6-dimethyl-4-heptanol 148.05
    DEF 267.92
    dimethyl isosorbide 408.21
    tetrachloroethylene 152.72
    eugenol 140.64
    triacetin 184.44
    span 80 224.76
    1,4-butanediol 76.04
    1,1-dichloroethane 289.5
    2-methyl-1-pentanol 369.17
    methyl formate 33.48
    2-methyl-1-butanol 432.4
    n-decane 14.09
    butyronitrile 423.8
    3,7-dimethyl-1-octanol 156.59
    1-chlorooctane 68.37
    1-chlorotetradecane 24.07
    n-nonane 12.6
    undecane 9.47
    tert-butylcyclohexane 28.74
    cyclooctane 14.93
    cyclopentanol 115.92
    tetrahydropyran 1336.1
    tert-amyl methyl ether 650.22
    2,5,8-trioxanonane 536.71
    1-hexene 212.35
    2-isopropoxyethanol 415.17
    2,2,2-trifluoroethanol 12.93
    methyl butyrate 291.94

    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