Sulfuretin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    120-05-8

    Molecular formula
    C15H10O5

    SMILES
    C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.41%
    Phenolic 52.65%
    Burnt 35.87%
    Spicy 32.1%
    Vanilla 28.85%
    Smoky 24.23%
    Balsamic 23.49%
    Savory 22.79%
    Medicinal 21.44%
    Bitter 21.43%

     

    Flavor
    Bitter 96.02%
    Odorless 21.46%
    Sweet-like 19.99%
    Cedarleaf 19.71%
    Lovage 19.68%
    Bland 19.46%
    Nitrile 19.26%
    Parsley 18.87%
    Very strong 18.87%
    Indole 18.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.93 (weak base)

    Molecular weight
    270.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    587°C

    Flash point

    • 237.85 ˚C est.

  • Synonyms

    • Sulfuretin
    • 120-05-8
    • Sulphuretin
    • M6410VY6MI
    • DTXSID30877681
    • (2Z)-2-(3,4-Dihydroxybenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
    • CHEBI:9355
    • 3',4',6'-trihydroxyaurone
    • (2Z)-2-((3,4-dihydroxyphenyl)methylidene)-6-hydroxy-1-benzofuran-3-one
    • RefChem:186631
    • DTXCID70911093
    • 204-366-4
    • 3',4',6-Trihydroxyaurone
    • (z)-2-(3,4-dihydroxybenzylidene)-6-hydroxybenzofuran-3(2h)-one
    • MFCD00017304
    • 3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-6-hydroxy-, (2Z)-
    • MLS000863576
    • SMR000440743
    • (Z)-2-((3,4-Dihydroxyphenyl)methylene)-6-hydroxy-2H-benzofuran-3-one
    • (Z)-2-[(3,4-dihydroxyphenyl)methylene]-6-hydroxy-2H-benzofuran-3-one
    • 6,3',4'-Trihydroxyaurone
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-6-hydroxy-benzofuran-3-one
    • UNII-M6410VY6MI
    • Aurone, 6,3',4'-trihydroxy-
    • 3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-HYDROXY-, (2Z)-
    • EINECS 204-366-4
    • SULFURETIN [MI]
    • SCHEMBL634006
    • 3',4',6-Trihydroxyaurone; 3',4',6-Trihydroxybenzalcoumaranone
    • CHEMBL490355
    • MEGxp0_001715
    • orb1297199
    • SCHEMBL29545005
    • SCHEMBL30214394
    • ACon1_000213
    • BDBM50580
    • cid_5281295
    • REGID_for_CID_5281295
    • 2-(3,4-dihydroxybenzylidene)-6-hydroxy-3(2H)-benzofuranone
    • GLXC-03839
    • HMS2270H03
    • HY-N1193
    • NSC811548
    • NSC814358
    • STK925749
    • 3(2H)-Benzofuranone, 2-((3,4-dihydroxyphenyl)methylene)-6-hydroxy-, (Z)-
    • AKOS005177205
    • ISOLIQUIRITIGENIN METABOLITE M3
    • EBC-462081
    • NSC-811548
    • NSC-814358
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-2,3-dihydro-1-benzofuran-3-one
    • NCGC00180774-01
    • FS137768
    • MS-23815
    • 3',4',6-TRIHYDROXYBENZALCOUMARANONE
    • CS-0016484
    • NS00041543
    • C08730
    • F93992
    • SR-01000765716
    • SR-01000765716-3
    • Q27108357
    • Benzofran-3-one, 2-[3,4-dihydroxybenzylidene]-6-hydroxy-
    • (2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumaran-3-one
    • 3',4',6-Trihydroxyaurone; 3',4',6-Trihydroxybenzalcoumarone
    • (2Z)-2-(3,4-Dihydroxybenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one #
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-3-benzofuranone
    • 3(2H)-BENZOFURANONE, 2-(3,4-DIHYDROXYBENZYLIDENE)-6-HYDROXY-
    • (2Z)-2-[(3,4-Dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3(2H)-one
    • (2Z)-2-[[3,4-bis(oxidanyl)phenyl]methylidene]-6-oxidanyl-1-benzofuran-3-one
    • 120-05-8

  • Applications

    Sulfuretin (CAS 120-05-8) is a naturally derived flavonoid that is primarily encountered as a research material for chemical and pharmaceutical exploration. In industry, it is commonly evaluated as a chemical intermediate in synthetic workflows and as a potential antioxidant in cosmetic and personal care formulations. It is also studied for biological activity in pharmaceutical research and may serve as a reference standard or analytical marker in analytical chemistry. Additionally, its pigment-like properties give it potential as a colorant or functional additive in coatings and inks, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.56
    methanol 22.62
    isopropanol 23.05
    water 0.16
    ethyl acetate 17.16
    n-propanol 20.46
    acetone 45.16
    n-butanol 18.53
    acetonitrile 17.32
    DMF 66.01
    toluene 0.82
    isobutanol 8.54
    1,4-dioxane 50.14
    methyl acetate 20.1
    THF 169.57
    2-butanone 44.72
    n-pentanol 11.73
    sec-butanol 24.07
    n-hexane 0.03
    ethylene glycol 31.42
    NMP 14.02
    cyclohexane 0.06
    DMSO 173.77
    n-butyl acetate 9.27
    n-octanol 8.82
    chloroform 0.23
    n-propyl acetate 11.15
    acetic acid 26.11
    dichloromethane 0.18
    cyclohexanone 23.53
    propylene glycol 43.09
    isopropyl acetate 19.66
    DMAc 104.55
    2-ethoxyethanol 91.75
    isopentanol 16.68
    n-heptane 0.15
    ethyl formate 10.06
    1,2-dichloroethane 0.58
    n-hexanol 7.69
    2-methoxyethanol 214.19
    isobutyl acetate 5.65
    tetrachloromethane 0.08
    n-pentyl acetate 10.54
    transcutol 254.1
    n-heptanol 8.23
    ethylbenzene 0.69
    MIBK 23.83
    2-propoxyethanol 66.8
    tert-butanol 39.04
    MTBE 13.4
    2-butoxyethanol 36.88
    propionic acid 18.47
    o-xylene 0.87
    formic acid 23.06
    diethyl ether 10.69
    m-xylene 0.86
    p-xylene 0.84
    chlorobenzene 0.43
    dimethyl carbonate 16.63
    n-octane 0.15
    formamide 81.02
    cyclopentanone 36.24
    2-pentanone 33.19
    anisole 8.26
    cyclopentyl methyl ether 13.8
    gamma-butyrolactone 35.39
    1-methoxy-2-propanol 174.03
    pyridine 11.4
    3-pentanone 14.33
    furfural 20.92
    n-dodecane 0.36
    diethylene glycol 96.76
    diisopropyl ether 2.98
    tert-amyl alcohol 28.19
    acetylacetone 59.62
    n-hexadecane 0.42
    acetophenone 9.04
    methyl propionate 20.36
    isopentyl acetate 10.28
    trichloroethylene 1.35
    n-nonanol 10.38
    cyclohexanol 12.04
    benzyl alcohol 10.88
    2-ethylhexanol 5.37
    isooctanol 7.81
    dipropyl ether 9.0
    1,2-dichlorobenzene 0.57
    ethyl lactate 19.24
    propylene carbonate 11.0
    n-methylformamide 39.92
    2-pentanol 16.57
    n-pentane 0.04
    1-propoxy-2-propanol 52.26
    1-methoxy-2-propyl acetate 31.13
    2-(2-methoxypropoxy) propanol 56.89
    mesitylene 0.77
    ε-caprolactone 20.22
    p-cymene 1.24
    epichlorohydrin 36.27
    1,1,1-trichloroethane 0.41
    2-aminoethanol 42.02
    morpholine-4-carbaldehyde 56.38
    sulfolane 42.28
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 25.33
    n-hexyl acetate 13.95
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 84.17
    sec-butyl acetate 9.63
    tert-butyl acetate 27.95
    decalin 0.09
    glycerin 108.81
    diglyme 124.07
    acrylic acid 17.48
    isopropyl myristate 10.12
    n-butyric acid 22.05
    acetyl acetate 10.3
    di(2-ethylhexyl) phthalate 8.03
    ethyl propionate 12.11
    nitromethane 84.42
    1,2-diethoxyethane 43.01
    benzonitrile 5.09
    trioctyl phosphate 7.09
    1-bromopropane 0.36
    gamma-valerolactone 69.68
    n-decanol 8.69
    triethyl phosphate 6.82
    4-methyl-2-pentanol 10.77
    propionitrile 14.96
    vinylene carbonate 8.18
    1,1,2-trichlorotrifluoroethane 32.25
    DMS 13.82
    cumene 0.67
    2-octanol 6.95
    2-hexanone 16.95
    octyl acetate 11.57
    limonene 1.7
    1,2-dimethoxyethane 105.71
    ethyl orthosilicate 6.94
    tributyl phosphate 8.39
    diacetone alcohol 75.28
    N,N-dimethylaniline 5.55
    acrylonitrile 19.48
    aniline 5.29
    1,3-propanediol 74.07
    bromobenzene 0.24
    dibromomethane 0.1
    1,1,2,2-tetrachloroethane 2.06
    2-methyl-cyclohexyl acetate 8.48
    tetrabutyl urea 14.01
    diisobutyl methanol 6.46
    2-phenylethanol 10.69
    styrene 0.68
    dioctyl adipate 13.88
    dimethyl sulfate 23.85
    ethyl butyrate 9.69
    methyl lactate 45.24
    butyl lactate 17.88
    diethyl carbonate 6.88
    propanediol butyl ether 43.77
    triethyl orthoformate 11.45
    p-tert-butyltoluene 1.44
    methyl 4-tert-butylbenzoate 17.12
    morpholine 73.35
    tert-butylamine 7.23
    n-dodecanol 7.09
    dimethoxymethane 109.55
    ethylene carbonate 8.21
    cyrene 31.68
    2-ethoxyethyl acetate 23.12
    2-ethylhexyl acetate 6.05
    1,2,4-trichlorobenzene 1.12
    4-methylpyridine 6.71
    dibutyl ether 11.98
    2,6-dimethyl-4-heptanol 6.46
    DEF 27.41
    dimethyl isosorbide 57.27
    tetrachloroethylene 0.94
    eugenol 23.55
    triacetin 23.86
    span 80 29.4
    1,4-butanediol 22.41
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 10.19
    methyl formate 25.9
    2-methyl-1-butanol 12.51
    n-decane 0.5
    butyronitrile 11.4
    3,7-dimethyl-1-octanol 9.63
    1-chlorooctane 2.02
    1-chlorotetradecane 1.27
    n-nonane 0.34
    undecane 0.43
    tert-butylcyclohexane 0.1
    cyclooctane 0.05
    cyclopentanol 13.74
    tetrahydropyran 19.58
    tert-amyl methyl ether 13.27
    2,5,8-trioxanonane 103.67
    1-hexene 0.26
    2-isopropoxyethanol 46.73
    2,2,2-trifluoroethanol 9.87
    methyl butyrate 13.71

    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