Sissotrin

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  • Identifiers

    CAS number
    5928-26-7

    Molecular formula
    C22H22O10

    SMILES
    COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.15%
    Vanilla 40.41%
    Sweet 40.35%
    Phenolic 31.34%
    Creamy 22.8%
    Milky 22.77%
    Balsamic 22.55%
    Bitter 22.41%
    Spicy 21.02%
    Powdery 20.35%

     

    Flavor
    Bitter 86.8%
    Bland 30.66%
    Odorless 28.05%
    Sweet-like 24.65%
    Cedarleaf 20.47%
    Parsley 19.9%
    Lovage 19.8%
    Ethyl benzoate 19.23%
    Eugenol 19.1%
    Nitrile 18.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.53 (neutral)

    Molecular weight
    446.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2825°C

    Flash point

    • 281.51 ˚C est.

  • Synonyms

    • Sissotrin
    • 5928-26-7
    • Biochanin A glucoside
    • 5-Hydroxyl ononin
    • Biochanin A 7-glucoside
    • 2F2SK16U1X
    • Biochanin A 7-o-beta-glucoside
    • Biochanin A 7-beta-D-glucopyranoside
    • 5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • NSC-289565
    • 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-methoxyphenyl)-
    • 5-hydroxy-3-(4-methoxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:1098573
    • 5-hydroxy-3-(4-methoxyphenyl)-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • biochanin A 7-O-beta-D-glucoside
    • Sissotrin [MI]
    • 5-hydroxy-3-(4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • Biochanin A-beta-D-glucoside
    • biochanin A-7-O-glucoside
    • 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-3-(4-methoxyphenyl)-
    • 5-hydroxy-3-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • UNII-2F2SK16U1X
    • starbld0009535
    • C05376
    • Sissotrin, ~95% (TLC)
    • MEGxp0_000435
    • orb1681676
    • BIOCHANIN 7-O-GLUCOSIDE
    • Biochanin A-.beta.-D-glucoside
    • BIOCHANINA-7-O-GLUCOSIDE
    • CHEMBL3426809
    • SCHEMBL30089411
    • ACon1_000323
    • CHEBI:28751
    • LFEUICHQZGNOHD-RECXWPGBSA-N
    • HY-N1240
    • STL564636
    • AKOS030490964
    • FB65335
    • FS-8845
    • NSC 289565
    • biochanin A-7-O-beta-D-glucopyranoside
    • NCGC00169186-01
    • BIOCHANIN A 7-O-.BETA.-GLUCOSIDE
    • CS-0016641
    • BIOCHANIN A 7-.BETA.-D-GLUCOPYRANOSIDE
    • G90316
    • BRD-K07506390-001-01-0
    • Q23372518
    • 5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside
    • 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-3-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
    • 5928-26-7

  • Applications

    Sissotrin (CAS 5928-26-7) is used across several industrial sectors as a processing aid and functional additive. It may serve as a solvent or co-solvent in formulation work, as an intermediate in organic synthesis, and as a stabilizer or compatibilizer in polymers, plastics, and coatings. In fragrance and cosmetics, it can function as an odorant or fixative component; in household products and cleaners, it may act as a processing aid or formulation ingredient. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.41
    methanol 0.98
    isopropanol 0.25
    water 0.01
    ethyl acetate 0.03
    n-propanol 0.6
    acetone 0.97
    n-butanol 0.22
    acetonitrile 0.05
    DMF 9.86
    toluene 0.02
    isobutanol 0.2
    1,4-dioxane 1.07
    methyl acetate 0.11
    THF 2.86
    2-butanone 0.52
    n-pentanol 0.15
    sec-butanol 0.3
    n-hexane 0.0
    ethylene glycol 3.35
    NMP 8.21
    cyclohexane 0.0
    DMSO 57.11
    n-butyl acetate 0.02
    n-octanol 0.14
    chloroform 0.01
    n-propyl acetate 0.03
    acetic acid 1.82
    dichloromethane 0.02
    cyclohexanone 0.65
    propylene glycol 3.56
    isopropyl acetate 0.02
    DMAc 11.18
    2-ethoxyethanol 3.37
    isopentanol 0.13
    n-heptane 0.01
    ethyl formate 0.09
    1,2-dichloroethane 0.03
    n-hexanol 0.06
    2-methoxyethanol 10.73
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.07
    transcutol 6.54
    n-heptanol 0.14
    ethylbenzene 0.01
    MIBK 0.07
    2-propoxyethanol 1.57
    tert-butanol 0.17
    MTBE 0.05
    2-butoxyethanol 1.34
    propionic acid 0.48
    o-xylene 0.01
    formic acid 4.51
    diethyl ether 0.06
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.16
    n-octane 0.0
    formamide 5.16
    cyclopentanone 1.76
    2-pentanone 0.17
    anisole 0.04
    cyclopentyl methyl ether 0.17
    gamma-butyrolactone 1.2
    1-methoxy-2-propanol 3.99
    pyridine 0.39
    3-pentanone 0.11
    furfural 1.26
    n-dodecane 0.0
    diethylene glycol 3.68
    diisopropyl ether 0.01
    tert-amyl alcohol 0.2
    acetylacetone 0.27
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.11
    isopentyl acetate 0.03
    trichloroethylene 0.04
    n-nonanol 0.16
    cyclohexanol 0.18
    benzyl alcohol 0.14
    2-ethylhexanol 0.03
    isooctanol 0.09
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.2
    propylene carbonate 0.15
    n-methylformamide 2.46
    2-pentanol 0.08
    n-pentane 0.0
    1-propoxy-2-propanol 0.74
    1-methoxy-2-propyl acetate 0.16
    2-(2-methoxypropoxy) propanol 1.61
    mesitylene 0.01
    ε-caprolactone 0.43
    p-cymene 0.01
    epichlorohydrin 0.86
    1,1,1-trichloroethane 0.01
    2-aminoethanol 3.62
    morpholine-4-carbaldehyde 7.56
    sulfolane 7.53
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.36
    n-hexyl acetate 0.11
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.52
    sec-butyl acetate 0.02
    tert-butyl acetate 0.04
    decalin 0.0
    glycerin 12.08
    diglyme 4.68
    acrylic acid 0.88
    isopropyl myristate 0.04
    n-butyric acid 0.22
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.12
    ethyl propionate 0.03
    nitromethane 2.11
    1,2-diethoxyethane 0.24
    benzonitrile 0.03
    trioctyl phosphate 0.08
    1-bromopropane 0.01
    gamma-valerolactone 6.44
    n-decanol 0.1
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.03
    propionitrile 0.06
    vinylene carbonate 0.14
    1,1,2-trichlorotrifluoroethane 3.08
    DMS 0.09
    cumene 0.01
    2-octanol 0.07
    2-hexanone 0.11
    octyl acetate 0.08
    limonene 0.02
    1,2-dimethoxyethane 2.28
    ethyl orthosilicate 0.05
    tributyl phosphate 0.07
    diacetone alcohol 0.55
    N,N-dimethylaniline 0.05
    acrylonitrile 0.13
    aniline 0.08
    1,3-propanediol 2.84
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.05
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.22
    diisobutyl methanol 0.02
    2-phenylethanol 0.08
    styrene 0.01
    dioctyl adipate 0.14
    dimethyl sulfate 0.68
    ethyl butyrate 0.03
    methyl lactate 0.88
    butyl lactate 0.28
    diethyl carbonate 0.02
    propanediol butyl ether 1.83
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.32
    morpholine 2.53
    tert-butylamine 0.04
    n-dodecanol 0.06
    dimethoxymethane 1.85
    ethylene carbonate 0.09
    cyrene 2.18
    2-ethoxyethyl acetate 0.2
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.11
    dibutyl ether 0.07
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.39
    dimethyl isosorbide 1.59
    tetrachloroethylene 0.04
    eugenol 0.5
    triacetin 0.29
    span 80 1.12
    1,4-butanediol 0.88
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.09
    methyl formate 1.2
    2-methyl-1-butanol 0.18
    n-decane 0.01
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.47
    tetrahydropyran 0.3
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 3.55
    1-hexene 0.01
    2-isopropoxyethanol 0.86
    2,2,2-trifluoroethanol 0.61
    methyl butyrate 0.06

    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