Acacetin

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  • Identifiers

    CAS number
    480-44-4

    Molecular formula
    C16H12O5

    SMILES
    COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 58.5%
    Sweet 39.08%
    Odorless 34.94%
    Burnt 30.84%
    Vanilla 30.61%
    Medicinal 29.18%
    Balsamic 26.9%
    Nutty 26.89%
    Animal 26.66%
    Fruity 26.25%

     

    Flavor
    Bitter 92.27%
    Parsley 20.37%
    Cedarleaf 20.24%
    Very strong 20.21%
    Indole 20.13%
    Lovage 20.11%
    Sweet-like 19.76%
    Nitrile 19.69%
    Ripe apricot 19.59%
    Curry 19.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.93 (weak base)

    Molecular weight
    284.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    618°C

    Flash point

    • 209.68 ˚C est.

  • Synonyms

    • acacetin
    • 480-44-4
    • Linarigenin
    • 5,7-Dihydroxy-4'-methoxyflavone
    • 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • 4'-Methoxy-5,7-dihydroxyflavone
    • KWI7J0A2CC
    • DTXSID00197383
    • NSC-76061
    • CHEBI:15335
    • RefChem:551426
    • DTXCID10119874
    • 207-552-3
    • Buddleoflavonol
    • 5,7-Dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • 4'-Methoxyapigenin
    • Acacetine
    • Linarisenin
    • Apigenin 4'-methyl ether
    • Akatsetin
    • 5,7-Dioxy-4'-methoxyflavone
    • Apisenin 4'-methyl ether
    • Apigenin 4'-dimethyl ether
    • 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
    • 4'-O-Methylapigenin
    • MFCD00016936
    • NSC 76061
    • Flavone, 5,7-dihydroxy-4'-methoxy-
    • ACAETIN
    • NSC76061
    • 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one
    • 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone
    • MLS002693970
    • CHEMBL243664
    • 2-(4-Methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • SMR001233299
    • SR-01000841189
    • EINECS 207-552-3
    • UNII-KWI7J0A2CC
    • accacetin
    • BRN 0277879
    • Acaceztin
    • Acacetin?
    • 4'-Methylapigenin
    • Prestwick_49
    • Acacetin (Standard)
    • 4'-O-methyl apigenin
    • 4'-O-methyl-apigenin
    • Kinome_3212
    • Spectrum_000135
    • ACACETIN [MI]
    • Prestwick0_000695
    • Prestwick1_000695
    • Prestwick2_000695
    • Prestwick3_000695
    • Spectrum5_000930
    • Acacetin, analytical standard
    • BSPBio_000849
    • KBioSS_000595
    • SPECTRUM200499
    • 5-18-04-00575 (Beilstein Handbook Reference)
    • MLS002153960
    • DivK1c_000878
    • SCHEMBL107712
    • SPBio_002770
    • BPBio1_000935
    • orb1303480
    • SCHEMBL29387049
    • BCBcMAP01_000082
    • BDBM23415
    • GTPL13776
    • HMS502L20
    • HY-N0451R
    • KBio1_000878
    • KBio2_000595
    • KBio2_003163
    • KBio2_005731
    • APIGENIN-4'-METHYL ETHER
    • Flavone,7-dihydroxy-4'-methoxy-
    • NINDS_000878
    • HMS1570K11
    • HMS1922P12
    • HMS2097K11
    • HMS2234J17
    • HMS3374F03
    • Acacetin, >=97.0% (HPLC)
    • HY-N0451
    • MSK15637
    • LMPK12110468
    • s5318
    • AKOS015903365
    • CCG-208517
    • CS-5336
    • EBC-444074
    • FA16905
    • IDI1_000878
    • SMP1_000001
    • NCGC00016458-01
    • NCGC00016458-02
    • NCGC00016458-03
    • NCGC00016458-04
    • NCGC00016458-05
    • NCGC00095213-01
    • NCGC00095213-02
    • NCGC00095213-03
    • NCGC00179402-01
    • AC-33976
    • AS-70345
    • CAS-480-44-4
    • ST066889
    • SY067185
    • WLN: T66 BO EVJ CR DO1& GQ IQ
    • DB-051509
    • A3013
    • NS00031752
    • C01470
    • 480A444
    • F241167
    • Q2822213
    • SR-01000841189-3
    • SR-01000841189-4
    • BRD-K77685744-001-03-6
    • BRD-K77685744-001-07-7
    • 5,7-Dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
    • 4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-methoxyphenyl)-
    • BE7185D3-6331-4E84-8C8E-5D10E505E37A
    • 480-44-4

  • Applications

    Acacetin (CAS 480-44-4) is primarily used as an intermediate in the synthesis of flavone derivatives, enabling access to compounds for pharmaceutical and agrochemical research. In cosmetics and personal care, it is often evaluated as a natural-type antioxidant and as a building block for specialty formulations. In household products and industrial formulations, it may serve as a chemical intermediate or stabilizer in multi-component systems, subject to formulation constraints. It is also explored in fragrance chemistry as a potential aroma precursor or co-ingredient in fragrance matrices. Use is governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.59
    methanol 0.57
    isopropanol 0.83
    water 0.0
    ethyl acetate 1.5
    n-propanol 0.99
    acetone 2.78
    n-butanol 0.93
    acetonitrile 1.8
    DMF 38.76
    toluene 0.12
    isobutanol 0.87
    1,4-dioxane 7.12
    methyl acetate 3.68
    THF 33.64
    2-butanone 4.8
    n-pentanol 0.71
    sec-butanol 1.12
    n-hexane 0.0
    ethylene glycol 4.9
    NMP 40.78
    cyclohexane 0.0
    DMSO 549.61
    n-butyl acetate 2.03
    n-octanol 0.43
    chloroform 0.2
    n-propyl acetate 2.45
    acetic acid 6.2
    dichloromethane 0.28
    cyclohexanone 5.89
    propylene glycol 8.83
    isopropyl acetate 1.55
    DMAc 62.98
    2-ethoxyethanol 14.97
    isopentanol 1.26
    n-heptane 0.01
    ethyl formate 1.63
    1,2-dichloroethane 0.54
    n-hexanol 0.37
    2-methoxyethanol 34.28
    isobutyl acetate 1.73
    tetrachloromethane 0.02
    n-pentyl acetate 1.3
    transcutol 178.73
    n-heptanol 0.48
    ethylbenzene 0.09
    MIBK 2.01
    2-propoxyethanol 16.23
    tert-butanol 1.81
    MTBE 0.96
    2-butoxyethanol 6.22
    propionic acid 4.24
    o-xylene 0.15
    formic acid 3.96
    diethyl ether 0.38
    m-xylene 0.11
    p-xylene 0.15
    chlorobenzene 0.22
    dimethyl carbonate 4.25
    n-octane 0.0
    formamide 11.15
    cyclopentanone 16.36
    2-pentanone 2.22
    anisole 1.47
    cyclopentyl methyl ether 2.5
    gamma-butyrolactone 25.1
    1-methoxy-2-propanol 26.01
    pyridine 2.92
    3-pentanone 1.61
    furfural 21.76
    n-dodecane 0.01
    diethylene glycol 27.17
    diisopropyl ether 0.17
    tert-amyl alcohol 1.62
    acetylacetone 8.94
    n-hexadecane 0.01
    acetophenone 2.92
    methyl propionate 3.29
    isopentyl acetate 2.74
    trichloroethylene 1.59
    n-nonanol 0.54
    cyclohexanol 1.15
    benzyl alcohol 2.22
    2-ethylhexanol 0.51
    isooctanol 0.6
    dipropyl ether 0.94
    1,2-dichlorobenzene 0.37
    ethyl lactate 5.54
    propylene carbonate 6.57
    n-methylformamide 9.41
    2-pentanol 0.56
    n-pentane 0.0
    1-propoxy-2-propanol 12.29
    1-methoxy-2-propyl acetate 11.3
    2-(2-methoxypropoxy) propanol 19.05
    mesitylene 0.09
    ε-caprolactone 7.93
    p-cymene 0.22
    epichlorohydrin 29.73
    1,1,1-trichloroethane 0.26
    2-aminoethanol 5.17
    morpholine-4-carbaldehyde 53.94
    sulfolane 89.01
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.92
    n-hexyl acetate 1.95
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 23.28
    sec-butyl acetate 1.64
    tert-butyl acetate 3.21
    decalin 0.01
    glycerin 34.56
    diglyme 57.62
    acrylic acid 6.78
    isopropyl myristate 1.13
    n-butyric acid 3.08
    acetyl acetate 2.14
    di(2-ethylhexyl) phthalate 2.06
    ethyl propionate 2.15
    nitromethane 28.38
    1,2-diethoxyethane 9.4
    benzonitrile 1.41
    trioctyl phosphate 1.13
    1-bromopropane 0.13
    gamma-valerolactone 47.84
    n-decanol 0.43
    triethyl phosphate 3.0
    4-methyl-2-pentanol 0.59
    propionitrile 1.34
    vinylene carbonate 5.25
    1,1,2-trichlorotrifluoroethane 33.16
    DMS 5.91
    cumene 0.1
    2-octanol 0.28
    2-hexanone 2.46
    octyl acetate 1.3
    limonene 0.3
    1,2-dimethoxyethane 23.49
    ethyl orthosilicate 2.37
    tributyl phosphate 1.89
    diacetone alcohol 11.67
    N,N-dimethylaniline 1.17
    acrylonitrile 3.36
    aniline 1.01
    1,3-propanediol 7.57
    bromobenzene 0.15
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 1.69
    2-methyl-cyclohexyl acetate 2.94
    tetrabutyl urea 3.03
    diisobutyl methanol 0.67
    2-phenylethanol 1.74
    styrene 0.11
    dioctyl adipate 3.57
    dimethyl sulfate 19.7
    ethyl butyrate 2.58
    methyl lactate 13.59
    butyl lactate 4.08
    diethyl carbonate 2.28
    propanediol butyl ether 8.71
    triethyl orthoformate 3.68
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 5.58
    morpholine 14.88
    tert-butylamine 0.38
    n-dodecanol 0.35
    dimethoxymethane 14.41
    ethylene carbonate 3.43
    cyrene 18.78
    2-ethoxyethyl acetate 6.28
    2-ethylhexyl acetate 1.8
    1,2,4-trichlorobenzene 0.86
    4-methylpyridine 2.0
    dibutyl ether 1.08
    2,6-dimethyl-4-heptanol 0.67
    DEF 5.43
    dimethyl isosorbide 37.06
    tetrachloroethylene 0.46
    eugenol 6.86
    triacetin 8.64
    span 80 7.99
    1,4-butanediol 2.5
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 1.05
    methyl formate 6.62
    2-methyl-1-butanol 1.11
    n-decane 0.02
    butyronitrile 0.97
    3,7-dimethyl-1-octanol 0.81
    1-chlorooctane 0.12
    1-chlorotetradecane 0.08
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 2.26
    tetrahydropyran 1.83
    tert-amyl methyl ether 1.09
    2,5,8-trioxanonane 40.4
    1-hexene 0.03
    2-isopropoxyethanol 8.33
    2,2,2-trifluoroethanol 3.04
    methyl butyrate 3.22

    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