Quercitrin

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  • Identifiers

    CAS number
    522-12-3

    Molecular formula
    C21H20O11

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.69%
    Phenolic 36.83%
    Burnt 27.66%
    Vanilla 24.69%
    Savory 21.98%
    Smoky 21.58%
    Milky 19.49%
    Bitter 17.26%
    Spicy 16.89%
    Balsamic 16.13%

     

    Flavor
    Bitter 82.39%
    Odorless 33.68%
    Bland 31.29%
    Sweet-like 25.49%
    Cedarleaf 20.28%
    Eugenol 19.97%
    Parsley 19.8%
    Lovage 19.32%
    Nitrile 19.07%
    Very slight 18.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.66 (weak base)

    Molecular weight
    448.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2604°C

    Melting point expt.

    • 176-179 °C; FROM WATER, MP 167 °C
    • 250 - 252 °C

    Flash point

    • 288.13 ˚C est.

    Solubility expt.

    • PRACTICALLY INSOL IN COLD WATER, ETHER; SOL IN ALCOHOL; MODERATELY SOL IN HOT WATER; SOL IN AQ ALKALINE SOLN
    • 0.064 mg/mL at 16 °C

  • Synonyms

    • quercitrin
    • 522-12-3
    • Quercitroside
    • Quercetin 3-rhamnoside
    • Quercetrin
    • Quercimelin
    • Thujin
    • Quercetin-3-L-rhamnoside
    • Quercetin 3-L-rhamnoside
    • Usaf cf-2
    • Rhamnoside, quercetin-3
    • QUERCETIN 3-RHAMNOPYRANOSIDE
    • C.I. 75720
    • Quercetin 3-O-alpha-rhamnopyranoside
    • 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside
    • CHEBI:17558
    • DTXSID50200230
    • 2Y8906LC5P
    • NCI-C60102
    • Quercetin, 3-(6-deoxy-alpha-L-mannopyranoside)
    • Mannopyranoside, quercetin-3 6-deoxy-, alpha-L-
    • CI 75720
    • NSC-9221
    • Flavone, 3,3',4',5,7-pentahydroxy-, 3-rhamnoside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
    • WA 17779
    • Flavone, 3,3',4',5,7-pentahydroxy-, 3-(6-deoxy-alpha-L-mannopyranoside)
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
    • quercetin-3-O-alpha-rhamnosid
    • quercetin-3-O-alpha-rhamnoside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)-4H-chromen-4-one
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
    • RefChem:6191
    • DTXCID50122721
    • 208-322-5
    • Quercetin 3-O-rhamnoside
    • Quercetin-3-rhamnoside
    • Quercitronic acid
    • Quercetin 3-O-alpha-L-rhamnoside
    • Quercetin 3-O-L-rhamnoside
    • Quercetin 3-O-rhamnopyranoside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • Quercetin 3-O-alpha-L-rhamnopyranoside
    • MFCD00016932
    • Quercetin-3-O-rhamnoside
    • NSC9221
    • Rhamnosyl-3-quercitin
    • Quercitin-3-rhamnoside
    • luteolin 6-deoxy-alpha-L-mannopyranoside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
    • 4H-1-Benzopyran-4-one, 3-((6-deoxy-.alpha.-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
    • Quercetrin-3-O-rham
    • CHEMBL82242
    • quericitrin
    • UNII-2Y8906LC5P
    • Quercetin 3-O-.alpha.-L-rhamnoside
    • Quercitrin CRS
    • HSDB 4339
    • 4gue
    • OXGUCUVFOIWWQJ-HQBVPOQASA-N
    • quercetin rhamnoside
    • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
    • EINECS 208-322-5
    • Quercitrin (Standard)
    • BRN 0068135
    • quercetin-3-O-rhamnose
    • QUERCITRIN [MI]
    • AI3-36095
    • QUERCITRIN [HSDB]
    • quercetin-3-o-l-rhamnoside
    • BIDD:PXR0076
    • Quercetin 3-?-L-rhamnoside
    • 5-18-05-00514 (Beilstein Handbook Reference)
    • MLS002472998
    • 3-O-RHAMNOSYLQUERCETIN
    • SCHEMBL147092
    • MEGxp0_000185
    • orb1304907
    • quercetin-3-o-beta-d-rhamnoside
    • SCHEMBL29381705
    • SCHEMBL29454400
    • ACon1_000189
    • BDBM84978
    • cid_5280459
    • HY-N0418R
    • quercetin-3-o-alpha-l-rhamnoside
    • WLZ4720
    • quercetin-3-O-alpha-L-rahmnoside
    • 3-O-(alpha-L-rhamnosyl)quercetin
    • HMS2219D24
    • HMS6018H12
    • HY-N0418
    • MSK40260
    • quercetin-3-O-a-L-rhamnopyranoside
    • quercetin-3-alpha-l-rhamnopyranoside
    • BDBM50056315
    • quercetin 3-O-alpha-L-rhampyranoside
    • s3824
    • AKOS000278033
    • CCG-269215
    • CS-5408
    • EBC-427042
    • MQ08116
    • SMP1_000253
    • 3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydr oxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • AC-20295
    • AC-34266
    • BS-16996
    • QUERCETIN-3-O-.ALPHA.-RHAMNOSIDE
    • SMR001397103
    • NS00006156
    • 3-O-.ALPHA.-L-RHAMNOPYRANOSYLQUERCETIN
    • C01750
    • QUERCETIN 3-O-.ALPHA.-RHAMNOPYRANOSIDE
    • QUERCETIN 3-O-.ALPHA.-L-RHAMNOPYRANOSIDE
    • 522Q123
    • Q1649777
    • Quercitrin, primary pharmaceutical reference standard
    • BRD-K98601533-001-01-7
    • Flavone, 3,3',4',5, 7-pentahydroxy-, 3-rhamnoside
    • 5,7,3',4'-TETRAHYDROXYFLAVONOL 3-O-RHAMNOSIDE
    • 3,3',4',5,7-PENTAHYDROXYFLAVONE 3-L-RHAMNOSIDE
    • 3-O-a-L-Rhamnopyranosyloxy-3',4',5,7-tetrahydroxyflavone
    • QUERCITRIN (QUERCETIN-3-O- RHAMNOSIDE) (CONSTITUENT OF GINKGO) [DSC]
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranoside
    • 522-12-3

  • Applications

    Quercitrin (CAS 522-12-3) is a natural flavonoid glycoside whose applications include use as an antioxidant and stabilizer in cosmetic and personal care formulations; it is also used as an intermediate or starting material in the synthesis of flavonoid derivatives for pharmaceutical and nutraceutical research; in food-related contexts it may be present in plant extracts and is commonly evaluated for antioxidant roles in functional foods and dietary supplements; and in industrial research and development settings it serves as a reference compound or analytical standard for flavonoid characterization and method development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.39
    methanol 14.31
    isopropanol 6.48
    water 0.08
    ethyl acetate 0.51
    n-propanol 13.9
    acetone 1.62
    n-butanol 4.24
    acetonitrile 0.3
    DMF 38.76
    toluene 0.05
    isobutanol 2.89
    1,4-dioxane 4.85
    methyl acetate 1.22
    THF 11.97
    2-butanone 3.88
    n-pentanol 1.53
    sec-butanol 6.12
    n-hexane 0.01
    ethylene glycol 34.63
    NMP 38.79
    cyclohexane 0.02
    DMSO 108.78
    n-butyl acetate 0.28
    n-octanol 0.84
    chloroform 0.03
    n-propyl acetate 0.3
    acetic acid 19.3
    dichloromethane 0.04
    cyclohexanone 2.81
    propylene glycol 44.34
    isopropyl acetate 0.27
    DMAc 46.84
    2-ethoxyethanol 30.8
    isopentanol 1.38
    n-heptane 0.03
    ethyl formate 0.99
    1,2-dichloroethane 0.09
    n-hexanol 0.67
    2-methoxyethanol 105.69
    isobutyl acetate 0.09
    tetrachloromethane 0.01
    n-pentyl acetate 0.51
    transcutol 23.66
    n-heptanol 1.01
    ethylbenzene 0.02
    MIBK 0.34
    2-propoxyethanol 12.72
    tert-butanol 2.28
    MTBE 0.42
    2-butoxyethanol 7.56
    propionic acid 7.73
    o-xylene 0.05
    formic acid 42.52
    diethyl ether 0.62
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.01
    dimethyl carbonate 1.42
    n-octane 0.02
    formamide 46.82
    cyclopentanone 6.64
    2-pentanone 1.17
    anisole 0.16
    cyclopentyl methyl ether 1.07
    gamma-butyrolactone 9.11
    1-methoxy-2-propanol 51.65
    pyridine 1.72
    3-pentanone 0.78
    furfural 5.58
    n-dodecane 0.01
    diethylene glycol 25.4
    diisopropyl ether 0.07
    tert-amyl alcohol 2.63
    acetylacetone 1.27
    n-hexadecane 0.01
    acetophenone 0.3
    methyl propionate 1.69
    isopentyl acetate 0.24
    trichloroethylene 0.13
    n-nonanol 0.9
    cyclohexanol 1.6
    benzyl alcohol 0.68
    2-ethylhexanol 0.23
    isooctanol 0.54
    dipropyl ether 0.47
    1,2-dichlorobenzene 0.01
    ethyl lactate 1.76
    propylene carbonate 1.11
    n-methylformamide 23.01
    2-pentanol 1.43
    n-pentane 0.02
    1-propoxy-2-propanol 6.75
    1-methoxy-2-propyl acetate 1.6
    2-(2-methoxypropoxy) propanol 5.72
    mesitylene 0.02
    ε-caprolactone 3.54
    p-cymene 0.03
    epichlorohydrin 5.03
    1,1,1-trichloroethane 0.02
    2-aminoethanol 53.77
    morpholine-4-carbaldehyde 36.27
    sulfolane 26.51
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.67
    n-hexyl acetate 0.68
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 9.84
    sec-butyl acetate 0.14
    tert-butyl acetate 0.35
    decalin 0.0
    glycerin 91.37
    diglyme 14.57
    acrylic acid 9.43
    isopropyl myristate 0.21
    n-butyric acid 3.57
    acetyl acetate 0.18
    di(2-ethylhexyl) phthalate 0.42
    ethyl propionate 0.31
    nitromethane 13.75
    1,2-diethoxyethane 1.38
    benzonitrile 0.12
    trioctyl phosphate 0.41
    1-bromopropane 0.06
    gamma-valerolactone 30.4
    n-decanol 0.59
    triethyl phosphate 0.29
    4-methyl-2-pentanol 0.33
    propionitrile 0.45
    vinylene carbonate 0.87
    1,1,2-trichlorotrifluoroethane 14.44
    DMS 0.63
    cumene 0.01
    2-octanol 0.5
    2-hexanone 0.49
    octyl acetate 0.48
    limonene 0.06
    1,2-dimethoxyethane 11.15
    ethyl orthosilicate 0.26
    tributyl phosphate 0.34
    diacetone alcohol 4.06
    N,N-dimethylaniline 0.17
    acrylonitrile 0.91
    aniline 0.46
    1,3-propanediol 41.0
    bromobenzene 0.01
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.19
    2-methyl-cyclohexyl acetate 0.25
    tetrabutyl urea 0.88
    diisobutyl methanol 0.13
    2-phenylethanol 0.42
    styrene 0.02
    dioctyl adipate 0.55
    dimethyl sulfate 3.85
    ethyl butyrate 0.28
    methyl lactate 9.98
    butyl lactate 1.95
    diethyl carbonate 0.16
    propanediol butyl ether 9.27
    triethyl orthoformate 0.48
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 1.21
    morpholine 18.69
    tert-butylamine 0.4
    n-dodecanol 0.35
    dimethoxymethane 13.17
    ethylene carbonate 0.63
    cyrene 6.54
    2-ethoxyethyl acetate 1.33
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.48
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.13
    DEF 3.45
    dimethyl isosorbide 4.97
    tetrachloroethylene 0.13
    eugenol 1.78
    triacetin 1.37
    span 80 5.06
    1,4-butanediol 8.7
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.67
    methyl formate 8.25
    2-methyl-1-butanol 2.06
    n-decane 0.02
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 0.37
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 4.52
    tetrahydropyran 1.92
    tert-amyl methyl ether 0.58
    2,5,8-trioxanonane 9.83
    1-hexene 0.04
    2-isopropoxyethanol 7.09
    2,2,2-trifluoroethanol 4.55
    methyl butyrate 0.53

    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