Robinin

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  • Identifiers

    CAS number
    301-19-9

    Molecular formula
    C33H40O19

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 76.38%
    Vanilla 29.47%
    Sweet 27.89%
    Milky 21.5%
    Phenolic 21.42%
    Savory 21.07%
    Burnt 18.94%
    Smoky 18.25%
    Creamy 17.92%
    Bitter 17.83%

     

    Flavor
    Bitter 69.37%
    Odorless 35.17%
    Bland 32.16%
    Sweet-like 28.94%
    Very mild 20.16%
    Cedarleaf 20.16%
    Very slight 19.62%
    Eugenol 19.33%
    Parsley 19.17%
    Cauliflower 19.11%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -2.2

    pKa est.
    7.41 (neutral)

    Molecular weight
    740.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6131°C

    Flash point

    • 289.97 ˚C est.

  • Synonyms

    • Robinin
    • 301-19-9
    • 75RT1VGM60
    • DTXSID401031393
    • CHEBI:8878
    • NSC-9222
    • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
    • 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
    • 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
    • 5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-chromen-4-one
    • 5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:179724
    • DTXCID101784927
    • 206-113-3
    • 5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
    • Kaempferol-3-O-gal-rham-7-O-rham
    • EINECS 206-113-3
    • Kaempferol-3-O-robinoside-7-O-rhamnoside
    • NSC 9222
    • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • UNII-75RT1VGM60
    • Robinin (Standard)
    • SpecPlus_000819
    • ROBININ [MI]
    • DivK1c_006915
    • SCHEMBL241939
    • MEGxp0_001943
    • orb1304708
    • SCHEMBL29849153
    • HY-N1346R
    • KBio1_001859
    • GLXC-14189
    • Robinin, >=90.0% (HPLC)
    • HY-N1346
    • AKOS032948817
    • EBC-615788
    • OR34983
    • 5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
    • AC-36973
    • DA-57495
    • kaempherol-3-O-robinoside-7-O-rhamnoside
    • MS-31289
    • CS-0016754
    • NS00015843
    • Q7352943
    • Kaempferol 3-O-beta-robinoside 7-O-alpha-L-rhamnopyranoside
    • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-galactopyranosyl)oxy)-7-((6-deoxy-.alpha.-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl
    • 4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GALACTOPYRANOSYL)OXY)-7-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-
    • 5-Hydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • 7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside
    • KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GALACTOPYRANOSYL 7-O-.ALPHA.-L-RHAMNOPYRANOSIDE
    • kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-galactopyranosyl-7-O-alpha-L-rhamnopyranoside
    • 301-19-9

  • Applications

    Robinin (CAS 301-19-9) is a natural flavonoid glycoside that is evaluated for several industrial applications, largely due to its antioxidant activity and potential to stabilize formulations. In cosmetics and personal care, it may function as a natural antioxidant active ingredient in skin and hair care formulations. In the food and nutraceutical sector, robinin is studied as a functional ingredient after extraction and purification, subject to regulatory constraints. In research and development, it serves as a reference compound for flavonoid glycosides in biological activity studies. It also has potential as a natural antioxidant additive in polymers, coatings, and inks to improve material stability, and may be explored for other formulation roles where gentle antioxidant protection is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.36
    methanol 6.09
    isopropanol 0.56
    water 0.05
    ethyl acetate 0.07
    n-propanol 1.36
    acetone 0.32
    n-butanol 0.59
    acetonitrile 0.07
    DMF 6.95
    toluene 0.03
    isobutanol 0.33
    1,4-dioxane 2.61
    methyl acetate 0.22
    THF 3.48
    2-butanone 0.46
    n-pentanol 0.33
    sec-butanol 0.52
    n-hexane 0.0
    ethylene glycol 4.63
    NMP 8.19
    cyclohexane 0.01
    DMSO 10.61
    n-butyl acetate 0.05
    n-octanol 0.23
    chloroform 0.06
    n-propyl acetate 0.06
    acetic acid 2.99
    dichloromethane 0.09
    cyclohexanone 0.62
    propylene glycol 5.62
    isopropyl acetate 0.04
    DMAc 6.37
    2-ethoxyethanol 3.88
    isopentanol 0.19
    n-heptane 0.01
    ethyl formate 0.25
    1,2-dichloroethane 0.08
    n-hexanol 0.13
    2-methoxyethanol 12.37
    isobutyl acetate 0.03
    tetrachloromethane 0.01
    n-pentyl acetate 0.19
    transcutol 5.88
    n-heptanol 0.26
    ethylbenzene 0.01
    MIBK 0.06
    2-propoxyethanol 1.92
    tert-butanol 0.17
    MTBE 0.07
    2-butoxyethanol 2.08
    propionic acid 0.85
    o-xylene 0.02
    formic acid 8.56
    diethyl ether 0.15
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.27
    n-octane 0.01
    formamide 5.75
    cyclopentanone 1.27
    2-pentanone 0.18
    anisole 0.06
    cyclopentyl methyl ether 0.26
    gamma-butyrolactone 1.44
    1-methoxy-2-propanol 4.56
    pyridine 0.67
    3-pentanone 0.14
    furfural 1.69
    n-dodecane 0.0
    diethylene glycol 3.67
    diisopropyl ether 0.01
    tert-amyl alcohol 0.22
    acetylacetone 0.21
    n-hexadecane 0.0
    acetophenone 0.09
    methyl propionate 0.22
    isopentyl acetate 0.04
    trichloroethylene 0.12
    n-nonanol 0.24
    cyclohexanol 0.27
    benzyl alcohol 0.22
    2-ethylhexanol 0.05
    isooctanol 0.12
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.25
    propylene carbonate 0.26
    n-methylformamide 3.51
    2-pentanol 0.16
    n-pentane 0.01
    1-propoxy-2-propanol 0.91
    1-methoxy-2-propyl acetate 0.22
    2-(2-methoxypropoxy) propanol 1.24
    mesitylene 0.01
    ε-caprolactone 0.7
    p-cymene 0.01
    epichlorohydrin 1.54
    1,1,1-trichloroethane 0.01
    2-aminoethanol 4.9
    morpholine-4-carbaldehyde 9.65
    sulfolane 4.37
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.62
    n-hexyl acetate 0.21
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.46
    sec-butyl acetate 0.03
    tert-butyl acetate 0.04
    decalin 0.0
    glycerin 13.75
    diglyme 3.69
    acrylic acid 1.42
    isopropyl myristate 0.05
    n-butyric acid 0.49
    acetyl acetate 0.04
    di(2-ethylhexyl) phthalate 0.12
    ethyl propionate 0.05
    nitromethane 1.92
    1,2-diethoxyethane 0.4
    benzonitrile 0.05
    trioctyl phosphate 0.09
    1-bromopropane 0.04
    gamma-valerolactone 6.67
    n-decanol 0.13
    triethyl phosphate 0.04
    4-methyl-2-pentanol 0.04
    propionitrile 0.09
    vinylene carbonate 0.28
    1,1,2-trichlorotrifluoroethane 3.84
    DMS 0.14
    cumene 0.01
    2-octanol 0.13
    2-hexanone 0.11
    octyl acetate 0.13
    limonene 0.02
    1,2-dimethoxyethane 2.21
    ethyl orthosilicate 0.04
    tributyl phosphate 0.06
    diacetone alcohol 0.42
    N,N-dimethylaniline 0.05
    acrylonitrile 0.17
    aniline 0.15
    1,3-propanediol 4.83
    bromobenzene 0.01
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.14
    2-methyl-cyclohexyl acetate 0.04
    tetrabutyl urea 0.17
    diisobutyl methanol 0.02
    2-phenylethanol 0.11
    styrene 0.01
    dioctyl adipate 0.13
    dimethyl sulfate 0.66
    ethyl butyrate 0.05
    methyl lactate 1.24
    butyl lactate 0.49
    diethyl carbonate 0.03
    propanediol butyl ether 2.99
    triethyl orthoformate 0.08
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.29
    morpholine 5.03
    tert-butylamine 0.04
    n-dodecanol 0.07
    dimethoxymethane 2.43
    ethylene carbonate 0.18
    cyrene 1.83
    2-ethoxyethyl acetate 0.55
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.22
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.59
    dimethyl isosorbide 1.06
    tetrachloroethylene 0.1
    eugenol 0.43
    triacetin 0.37
    span 80 1.43
    1,4-butanediol 1.37
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.14
    methyl formate 1.91
    2-methyl-1-butanol 0.28
    n-decane 0.01
    butyronitrile 0.07
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.62
    tetrahydropyran 0.58
    tert-amyl methyl ether 0.09
    2,5,8-trioxanonane 2.41
    1-hexene 0.01
    2-isopropoxyethanol 1.03
    2,2,2-trifluoroethanol 0.92
    methyl butyrate 0.1

    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