Paeonol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    552-41-0

    Molecular formula
    C9H10O3

    SMILES
    CC(=O)C1=C(C=C(C=C1)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 90.86%
    Vanilla 60.53%
    Phenolic 59.81%
    Balsamic 48.56%
    Spicy 48.16%
    Floral 47.84%
    Woody 47.78%
    Herbal 46.75%
    Powdery 46.7%
    Hawthorn 44.1%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point est.
    124.86 ˚C

  • Synonyms

    • PAEONOL
    • 552-41-0
    • 2'-Hydroxy-4'-methoxyacetophenone
    • 1-(2-Hydroxy-4-methoxyphenyl)ethanone
    • Peonol
    • 2-Hydroxy-4-methoxyacetophenone
    • Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-
    • 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one
    • 4-O-Methylresacetophenone
    • Resacetophenone-4-methyl ether
    • MFCD00008730
    • 4'-Methoxy-2'-hydroxyacetophenone
    • Paeonal
    • Acetophenone, 2'-hydroxy-4'-methoxy-
    • NSC 401442
    • 2-acetyl-5-methoxyphenol
    • Resacetophenone, 4-O-methyl ester
    • EINECS 209-012-2
    • Paeonol (Peonol)
    • UNII-3R834EPI82
    • BRN 1282794
    • 1-(2-hydroxy-4-methoxy-phenyl)ethanone
    • AI3-10581
    • 3R834EPI82
    • NSC-401442
    • RESACETOPHENONE 4-O-METHYL ETHER
    • CHEMBL1079227
    • CHEBI:69581
    • 4-08-00-01793 (Beilstein Handbook Reference)
    • 1-(2-hydroxy-4-methoxy-phenyl)-ethanone
    • 1-(4-METHOXY-2-HYDROXYPHENYL)ETHANONE
    • 2-HYDROXY-4-METHOXYPHENYL METHYL KETONE
    • 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3)
    • Paeonol (Standard)
    • 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone
    • Spectrum2_001981
    • Spectrum3_001686
    • PAEONOL [WHO-DD]
    • 2-Acetyl-5-methoxy-phenol
    • CBiol_000986
    • BSPBio_003212
    • MLS006011902
    • SPECTRUM1601021
    • SPBio_002161
    • SCHEMBL1449478
    • DTXSID1022059
    • HY-N0159R
    • KBio3_002432
    • 4-methoxy 2-hydroxy acetophenone
    • HMS3656E07
    • HMS3884J13
    • 2`-Hydroxy-4`-methoxyacetophenone
    • HY-N0159
    • BBL012127
    • BDBM50310718
    • CCG-39471
    • ICCB4_000282
    • NSC401442
    • s2339
    • STK078097
    • AKOS000119646
    • AC-7982
    • FH54161
    • SDCCGMLS-0066845.P001
    • 1-(2-hydroxy-4-methoxyphenyl)-ethanone
    • NCGC00095977-01
    • NCGC00095977-02
    • NCGC00095977-03
    • 2'-Hydroxy-4'-methoxyacetophenone, 99%
    • AS-15489
    • SMR000112386
    • SY013508
    • 1-(2-Hydroxy-4-methoxyphenyl)ethanone #
    • 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone
    • 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one
    • H0789
    • NS00033267
    • SW219250-1
    • EN300-17920
    • 1-(2-Hydroxy-4-methoxyphenyl)ethanone;Paeonol
    • Acetophenone, 2'-hydroxy-4'-methoxy-(7CI,8CI)
    • AL-968/20304013
    • SR-05000002397
    • Q7124105
    • SR-05000002397-1
    • BRD-K94239562-001-02-2
    • BRD-K94239562-001-03-0
    • BRD-K94239562-001-05-5
    • Z57101020
    • 2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark -methoxyacetophenone
    • InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H

  • Applications

    Paeonol (CAS 552-41-0) is a phenolic compound predominantly isolated from Moutan Cortex and is widely applied for its anti-inflammatory, analgesic, anti-allergic, antioxidant, and mild antimicrobial properties; in medicine and traditional formulations it is used as an active or adjunct in products for dermatitis, eczema, pruritus, acne, periodontitis and stomatitis, as well as allergic rhinitis and asthma; in cardiovascular research it has been explored for antiplatelet activity, vasodilation, endothelial protection, and anti-atherosclerosis; in neurology and metabolism it shows neuroprotective, neuropathic-pain-relieving, hepatoprotective, and lipid/insulin-sensitizing potential (mainly preclinical); in cosmetics it serves as a soothing, anti-redness, anti-irritation, antioxidant ingredient that supports barrier recovery in creams/serums and after-sun care; in R&D it functions as a quality-control marker for herbal materials (HPLC/UPLC) and as a payload in drug-delivery systems (nanoparticles/liposomes/transdermal patches); regulatory status varies by region and clinical evidence remains limited, so use should follow applicable regulations and current safety data.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.22
    methanol 107.0
    isopropanol 60.22
    water 2.16
    ethyl acetate 116.41
    n-propanol 66.29
    acetone 210.26
    n-butanol 56.5
    acetonitrile 116.68
    DMF 538.51
    toluene 20.89
    isobutanol 44.98
    1,4-dioxane 251.62
    methyl acetate 145.2
    THF 466.52
    2-butanone 131.57
    n-pentanol 39.39
    sec-butanol 54.79
    n-hexane 3.89
    ethylene glycol 66.36
    NMP 480.89
    cyclohexane 3.88
    DMSO 613.75
    n-butyl acetate 50.89
    n-octanol 16.44
    chloroform 110.15
    n-propyl acetate 54.69
    acetic acid 153.35
    dichloromethane 108.37
    cyclohexanone 149.74
    propylene glycol 57.04
    isopropyl acetate 67.68
    DMAc 466.05
    2-ethoxyethanol 124.31
    isopentanol 54.28
    n-heptane 2.51
    ethyl formate 70.1
    1,2-dichloroethane 98.37
    n-hexanol 37.94
    2-methoxyethanol 271.26
    isobutyl acetate 32.44
    tetrachloromethane 20.96
    n-pentyl acetate 23.83
    transcutol 335.16
    n-heptanol 16.77
    ethylbenzene 13.84
    MIBK 66.86
    2-propoxyethanol 117.99
    tert-butanol 123.7
    MTBE 89.76
    2-butoxyethanol 49.73
    propionic acid 100.82
    o-xylene 22.42
    formic acid 130.2
    diethyl ether 94.0
    m-xylene 21.89
    p-xylene 17.39
    chlorobenzene 41.87
    dimethyl carbonate 110.49
    n-octane 0.77
    formamide 228.12
    cyclopentanone 268.69
    2-pentanone 104.68
    anisole 76.15
    cyclopentyl methyl ether 132.13
    gamma-butyrolactone 353.75
    1-methoxy-2-propanol 179.96
    pyridine 97.84
    3-pentanone 86.25
    furfural 247.99
    n-dodecane 0.97
    diethylene glycol 145.16
    diisopropyl ether 25.45
    tert-amyl alcohol 89.55
    acetylacetone 163.2
    n-hexadecane 1.16
    acetophenone 70.15
    methyl propionate 129.72
    isopentyl acetate 48.09
    trichloroethylene 186.83
    n-nonanol 15.91
    cyclohexanol 54.14
    benzyl alcohol 48.48
    2-ethylhexanol 23.81
    isooctanol 15.09
    dipropyl ether 32.57
    1,2-dichlorobenzene 49.29
    ethyl lactate 46.06
    propylene carbonate 136.37
    n-methylformamide 201.03
    2-pentanol 39.83
    n-pentane 3.21
    1-propoxy-2-propanol 70.38
    1-methoxy-2-propyl acetate 89.09
    2-(2-methoxypropoxy) propanol 88.92
    mesitylene 16.26
    ε-caprolactone 137.81
    p-cymene 12.84
    epichlorohydrin 325.12
    1,1,1-trichloroethane 87.95
    2-aminoethanol 78.08
    morpholine-4-carbaldehyde 358.33
    sulfolane 425.35
    2,2,4-trimethylpentane 3.88
    2-methyltetrahydrofuran 221.47
    n-hexyl acetate 41.57
    isooctane 2.62
    2-(2-butoxyethoxy)ethanol 94.06
    sec-butyl acetate 41.73
    tert-butyl acetate 97.84
    decalin 4.68
    glycerin 127.78
    diglyme 192.74
    acrylic acid 124.15
    isopropyl myristate 20.0
    n-butyric acid 87.87
    acetyl acetate 91.21
    di(2-ethylhexyl) phthalate 25.07
    ethyl propionate 70.17
    nitromethane 419.55
    1,2-diethoxyethane 65.0
    benzonitrile 46.66
    trioctyl phosphate 17.81
    1-bromopropane 41.43
    gamma-valerolactone 331.41
    n-decanol 11.94
    triethyl phosphate 38.21
    4-methyl-2-pentanol 27.57
    propionitrile 70.52
    vinylene carbonate 116.27
    1,1,2-trichlorotrifluoroethane 218.81
    DMS 78.38
    cumene 13.94
    2-octanol 10.98
    2-hexanone 59.06
    octyl acetate 24.13
    limonene 19.78
    1,2-dimethoxyethane 215.19
    ethyl orthosilicate 33.77
    tributyl phosphate 25.11
    diacetone alcohol 128.14
    N,N-dimethylaniline 53.91
    acrylonitrile 103.09
    aniline 58.57
    1,3-propanediol 96.8
    bromobenzene 32.66
    dibromomethane 59.5
    1,1,2,2-tetrachloroethane 144.57
    2-methyl-cyclohexyl acetate 44.27
    tetrabutyl urea 34.73
    diisobutyl methanol 16.68
    2-phenylethanol 45.41
    styrene 16.81
    dioctyl adipate 37.62
    dimethyl sulfate 231.81
    ethyl butyrate 46.23
    methyl lactate 99.31
    butyl lactate 30.11
    diethyl carbonate 40.97
    propanediol butyl ether 50.73
    triethyl orthoformate 40.37
    p-tert-butyltoluene 13.97
    methyl 4-tert-butylbenzoate 63.0
    morpholine 289.53
    tert-butylamine 57.28
    n-dodecanol 9.23
    dimethoxymethane 259.39
    ethylene carbonate 94.12
    cyrene 98.51
    2-ethoxyethyl acetate 51.87
    2-ethylhexyl acetate 38.37
    1,2,4-trichlorobenzene 67.09
    4-methylpyridine 95.45
    dibutyl ether 21.49
    2,6-dimethyl-4-heptanol 16.68
    DEF 143.58
    dimethyl isosorbide 150.03
    tetrachloroethylene 86.98
    eugenol 57.27
    triacetin 66.66
    span 80 52.64
    1,4-butanediol 33.31
    1,1-dichloroethane 78.71
    2-methyl-1-pentanol 40.99
    methyl formate 157.57
    2-methyl-1-butanol 50.27
    n-decane 1.58
    butyronitrile 55.79
    3,7-dimethyl-1-octanol 20.89
    1-chlorooctane 10.05
    1-chlorotetradecane 4.54
    n-nonane 1.35
    undecane 1.21
    tert-butylcyclohexane 4.8
    cyclooctane 1.65
    cyclopentanol 81.43
    tetrahydropyran 144.31
    tert-amyl methyl ether 70.36
    2,5,8-trioxanonane 148.05
    1-hexene 15.05
    2-isopropoxyethanol 75.22
    2,2,2-trifluoroethanol 103.08
    methyl butyrate 74.88

    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
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 1.25%
Carrot seed (Japan) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 1.33%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 16.2%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.02%