Magnolol

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  • Identifiers

    CAS number
    528-43-8

    Molecular formula
    C18H18O2

    SMILES
    C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Spicy 63.13%
    Phenolic 55.98%
    Smoky 37.78%
    Medicinal 35.22%
    Woody 32.26%
    Sweet 29.84%
    Herbal 29.56%
    Burnt 28.87%
    Clove 26.47%
    Leathery 25.89%

     

    Flavor
    Phenolic 41.11%
    Sweet 40.36%
    Spicy 36.41%
    Bitter 34.12%
    Medicinal 32.07%
    Woody 31.49%
    Mild 30.83%
    Spice 28.76%
    Clove 28.25%
    Cinnamon 24.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.13 (weak base)

    Molecular weight
    266.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    425°C

    Melting point expt.

    • 101.5-102 °C

    Flash point

    • 211.22 ˚C est.

    Solubility expt.

    • Slightly soluble in water; soluble in DMSO
    • Sparingly soluble (in ethanol)

  • Synonyms

    • Magnolol
    • 528-43-8
    • 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol
    • 5,5'-Diallyl-2,2'-biphenyldiol
    • 2,2'-Bichavicol
    • 5,5'-Diallyl-2,2'-dihydroxybiphenyl
    • Dehydrodichavicol
    • 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
    • NSC 293099
    • 4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol
    • UNII-001E35HGVF
    • MFCD00016658
    • 001E35HGVF
    • HSDB 7686
    • MAGNOLOL [HSDB]
    • MAGNOLOL [MI]
    • NSC-293099
    • 2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol
    • MLS001048917
    • CHEBI:6643
    • DTXSID0044076
    • FEMA NO. 4559
    • 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
    • 5,5'-Diallylbiphenyl-2,2'-diol
    • (1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propenyl-
    • [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propenyl-
    • SMR000387108
    • 2,2'-DIHYDROXY-5,5'-DIALLYLBIPHENYL
    • [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propen-1-yl-
    • 5,5'-DI-2-PROPEN-1-YL-(1,1'-BIPHENYL)-2,2'-DIOL
    • 2'-Bichavicol
    • 5,5'-Diallyl-(1,1'-biphenyl)-2,2'-diol
    • SR-01000758206
    • (1,1"-Biphenyl)-2,2"-diol, 5,5"-di-2-propenyl-
    • [1,1"-Biphenyl]-2,2"-diol, 5,5"-di-2-propenyl-
    • (1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propen-1-yl-
    • 5,5'-Di-2-propen-1-yl-[1,1'-biphenyl]-2,2'-diol; 2,2'-Bichavicol; 5,5'-Diallyl-2,2'-biphenyldiol; Magnolol; NSC 293099
    • 2,2"-Bichavicol
    • Magnolol (Standard)
    • 5,5'-Diallylbiphenyl-2,2'-diol-1,4-diazabicyclo(2.2.2)octane (2/1)
    • 5,5'-Diallylbiphenyl-2,2'-diol-1,4-diazabicyclo[2.2.2]octane (2/1)
    • MAGNOLOL [INCI]
    • 2,2' BICHAVICOL
    • UPCMLD-DP037
    • cid_72300
    • SCHEMBL132477
    • REGID_for_CID_72300
    • CHEMBL180920
    • DTXCID8024076
    • UPCMLD-DP037:001
    • BDBM78304
    • HY-N0163R
    • 5,5'-DI-2-PROPENYL-
    • HMS2269N09
    • HMS3651O18
    • BCP28276
    • HY-N0163
    • AC-931
    • BBL027818
    • NSC293099
    • s2321
    • STK801955
    • 2,2"-Biphenyldiol, 5,5"-diallyl-
    • AKOS005266409
    • CCG-208588
    • CS-5021
    • DS-1284
    • FM09710
    • SMP2_000086
    • Magnolol, >=95% (HPLC), from plant
    • NCGC00161609-01
    • NCGC00161609-02
    • SY016075
    • D3971
    • NS00018055
    • SW219728-1
    • 2,2' BIPHENYLDIOL, 5,5'-DIALLYL-
    • EN300-7368364
    • 5,5'-Di-2-propenyl-[1,1'-biphenyl]-2,2'-diol
    • Q6732002
    • SR-01000758206-3
    • SR-01000758206-4
    • BRD-K26168087-001-01-4
    • BRD-K26168087-001-09-7
    • Magnolol, European Pharmacopoeia (EP) Reference Standard
    • Z1741977128
    • 2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol
    • 5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol
    • 5,5 inverted exclamation mark -Diallyl-2,2 inverted exclamation mark -biphenyldiol
    • 610-903-7

  • Applications

    Magnolol, a neolignan isolated from Magnolia bark with CAS 528-43-8, is considered for applications as a fragrance ingredient in perfumery and as a cosmetic/personal care ingredient; it is also evaluated as a synthetic intermediate or research chemical in pharmaceutical development; in industrial manufacturing, magnolol serves as a starting material for specialized syntheses and related specialty chemicals; and it is studied for potential use as a functional additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.82
    methanol 93.2
    isopropanol 48.78
    water 0.02
    ethyl acetate 197.92
    n-propanol 110.73
    acetone 246.77
    n-butanol 67.94
    acetonitrile 67.99
    DMF 756.89
    toluene 77.45
    isobutanol 51.7
    1,4-dioxane 123.21
    methyl acetate 204.87
    THF 618.34
    2-butanone 313.87
    n-pentanol 43.73
    sec-butanol 67.39
    n-hexane 2.29
    ethylene glycol 10.66
    NMP 280.02
    cyclohexane 2.47
    DMSO 367.86
    n-butyl acetate 85.92
    n-octanol 14.21
    chloroform 171.58
    n-propyl acetate 76.1
    acetic acid 49.47
    dichloromethane 166.12
    cyclohexanone 238.62
    propylene glycol 32.55
    isopropyl acetate 99.6
    DMAc 707.42
    2-ethoxyethanol 88.29
    isopentanol 53.24
    n-heptane 1.98
    ethyl formate 57.09
    1,2-dichloroethane 223.23
    n-hexanol 48.01
    2-methoxyethanol 175.65
    isobutyl acetate 51.87
    tetrachloromethane 9.8
    n-pentyl acetate 40.77
    transcutol 220.14
    n-heptanol 20.77
    ethylbenzene 32.89
    MIBK 92.8
    2-propoxyethanol 113.89
    tert-butanol 71.51
    MTBE 122.24
    2-butoxyethanol 54.09
    propionic acid 62.4
    o-xylene 34.69
    formic acid 12.7
    diethyl ether 149.58
    m-xylene 36.1
    p-xylene 30.7
    chlorobenzene 68.64
    dimethyl carbonate 96.69
    n-octane 1.28
    formamide 57.81
    cyclopentanone 444.63
    2-pentanone 213.55
    anisole 88.33
    cyclopentyl methyl ether 163.84
    gamma-butyrolactone 326.22
    1-methoxy-2-propanol 141.75
    pyridine 213.1
    3-pentanone 192.65
    furfural 168.54
    n-dodecane 1.2
    diethylene glycol 65.05
    diisopropyl ether 26.43
    tert-amyl alcohol 77.69
    acetylacetone 191.38
    n-hexadecane 1.4
    acetophenone 78.84
    methyl propionate 230.38
    isopentyl acetate 79.92
    trichloroethylene 360.91
    n-nonanol 16.0
    cyclohexanol 41.97
    benzyl alcohol 55.78
    2-ethylhexanol 29.84
    isooctanol 19.47
    dipropyl ether 51.47
    1,2-dichlorobenzene 58.59
    ethyl lactate 37.05
    propylene carbonate 116.04
    n-methylformamide 156.88
    2-pentanol 42.28
    n-pentane 1.66
    1-propoxy-2-propanol 75.03
    1-methoxy-2-propyl acetate 106.06
    2-(2-methoxypropoxy) propanol 57.5
    mesitylene 17.74
    ε-caprolactone 149.59
    p-cymene 16.73
    epichlorohydrin 443.18
    1,1,1-trichloroethane 95.65
    2-aminoethanol 39.97
    morpholine-4-carbaldehyde 190.88
    sulfolane 307.0
    2,2,4-trimethylpentane 3.06
    2-methyltetrahydrofuran 233.01
    n-hexyl acetate 45.65
    isooctane 2.21
    2-(2-butoxyethoxy)ethanol 77.29
    sec-butyl acetate 61.75
    tert-butyl acetate 102.94
    decalin 3.77
    glycerin 40.48
    diglyme 157.54
    acrylic acid 45.75
    isopropyl myristate 21.05
    n-butyric acid 86.27
    acetyl acetate 69.62
    di(2-ethylhexyl) phthalate 21.66
    ethyl propionate 80.54
    nitromethane 167.94
    1,2-diethoxyethane 86.08
    benzonitrile 52.63
    trioctyl phosphate 15.92
    1-bromopropane 100.39
    gamma-valerolactone 320.34
    n-decanol 13.02
    triethyl phosphate 30.39
    4-methyl-2-pentanol 29.25
    propionitrile 88.44
    vinylene carbonate 87.41
    1,1,2-trichlorotrifluoroethane 160.19
    DMS 61.78
    cumene 19.63
    2-octanol 13.45
    2-hexanone 86.16
    octyl acetate 24.83
    limonene 22.68
    1,2-dimethoxyethane 184.78
    ethyl orthosilicate 30.85
    tributyl phosphate 19.44
    diacetone alcohol 120.29
    N,N-dimethylaniline 50.03
    acrylonitrile 110.52
    aniline 81.12
    1,3-propanediol 53.1
    bromobenzene 68.16
    dibromomethane 100.41
    1,1,2,2-tetrachloroethane 268.12
    2-methyl-cyclohexyl acetate 44.84
    tetrabutyl urea 27.7
    diisobutyl methanol 21.09
    2-phenylethanol 52.62
    styrene 42.01
    dioctyl adipate 32.8
    dimethyl sulfate 142.16
    ethyl butyrate 60.03
    methyl lactate 68.8
    butyl lactate 35.7
    diethyl carbonate 40.08
    propanediol butyl ether 41.36
    triethyl orthoformate 41.44
    p-tert-butyltoluene 17.37
    methyl 4-tert-butylbenzoate 52.49
    morpholine 232.95
    tert-butylamine 35.24
    n-dodecanol 10.29
    dimethoxymethane 330.27
    ethylene carbonate 68.3
    cyrene 60.98
    2-ethoxyethyl acetate 72.17
    2-ethylhexyl acetate 59.16
    1,2,4-trichlorobenzene 68.57
    4-methylpyridine 187.72
    dibutyl ether 28.97
    2,6-dimethyl-4-heptanol 21.09
    DEF 221.62
    dimethyl isosorbide 116.53
    tetrachloroethylene 116.4
    eugenol 49.77
    triacetin 46.91
    span 80 39.4
    1,4-butanediol 17.38
    1,1-dichloroethane 135.43
    2-methyl-1-pentanol 44.28
    methyl formate 92.6
    2-methyl-1-butanol 57.26
    n-decane 1.89
    butyronitrile 66.42
    3,7-dimethyl-1-octanol 21.54
    1-chlorooctane 11.85
    1-chlorotetradecane 5.47
    n-nonane 1.52
    undecane 1.48
    tert-butylcyclohexane 4.19
    cyclooctane 1.05
    cyclopentanol 59.63
    tetrahydropyran 195.73
    tert-amyl methyl ether 97.51
    2,5,8-trioxanonane 102.33
    1-hexene 22.43
    2-isopropoxyethanol 63.11
    2,2,2-trifluoroethanol 16.16
    methyl butyrate 98.01

    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