Rutin

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  • Identifiers

    CAS number
    153-18-4

    Molecular formula
    C27H30O16

    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)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 81.11%
    Vanilla 25.44%
    Phenolic 25.18%
    Savory 21.75%
    Burnt 21.6%
    Milky 20.06%
    Smoky 18.74%
    Bitter 16.49%
    Sweet 16.43%
    Creamy 15.61%

     

    Flavor
    Bitter 71.76%
    Odorless 37.22%
    Bland 33.59%
    Sweet-like 28.2%
    Very mild 20.56%
    Cedarleaf 19.97%
    Eugenol 19.55%
    Very slight 19.3%
    Parsley 19.27%
    Lovage 18.76%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    7.87 (neutral)

    Molecular weight
    610.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5519°C

    Melting point expt.

    • 125 °C

    Flash point

    • 301.93 ˚C est.

    Solubility expt.

    • 125 mg/L
    • 0.125 mg/mL

  • Synonyms

    • RUTIN
    • 153-18-4
    • rutoside
    • Quercetin 3-rutinoside
    • Phytomelin
    • Birutan
    • Sophorin
    • Myrticolorin
    • Globulariacitrin
    • Ilixanthin
    • Osyritrin
    • Paliuroside
    • Tanrutin
    • 3-Rutinosyl quercetin
    • Quercetin-3-rutinoside
    • Quercetin 3-O-rutinoside
    • Yunxianggan
    • Rutosido
    • Rutine
    • 3-Rhamnoglucosylquercetin
    • Rutosidum
    • Rutinum
    • quercetin-3-O-rutinoside
    • Novarrutina
    • Violaquercetrin
    • C.I. 75730
    • DTXSID3022326
    • 5G06TVY3R7
    • NSC-9220
    • DTXCID802326
    • 3-[[6-O-(6-Deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • CHEBI:28527
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
    • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,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}-4H-chromen-4-one
    • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • NSC9220
    • Quercetin 3 Rutinoside
    • Quercetin, 3-Rhamnosyl-Glucosyl
    • Quercetin Glycoside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,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)-4H-chromen-4-one
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:6577
    • Rutin 1541
    • C05CA01
    • 2-(3,4-dihydroxyphenyl)-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-chromen-7-one
    • 205-814-1
    • 3-Rhamnosyl-Glucosyl Quercetin
    • Eldrin
    • Bioflavonoid
    • Globularicitrin
    • Rutabion
    • Violaquercitrin
    • Rutozyd
    • Melin
    • Rutinic acid
    • Birutan Forte
    • Oxyritin
    • Rutinion acid
    • Venoruton
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,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)-4H-chromen-4-one
    • MFCD00006830
    • Quercitin 3-rutinoside
    • Birutin
    • Quercetin rhamnoglucosine
    • Quercetin 3-O-beta-D-rutinoside
    • Quercetin-3beta-rutinoside
    • Quercetin 3-rhamnoglucoside
    • Quercetol 3-rhamnoglucoside
    • Rutosid
    • Rutoside [INN]
    • 3,3',4',5,7-Pentahydroxyflavone-3-rutinoside
    • 4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
    • CHEMBL226335
    • Rutoside (INN)
    • 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
    • 3-Rhamnoglucoside of 3,3',4',5,7-pentahydroxyflavone
    • NCGC00160628-01
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
    • RUT
    • quercetin rutinoside
    • CAS-153-18-4
    • SMR000112560
    • Rutin [JAN:NF]
    • Rutosidum [INN-Latin]
    • Rutosido [INN-Spanish]
    • 207671-50-9
    • USAF CF-5
    • UNII-5G06TVY3R7
    • Neoisorutin
    • CCRIS 7564
    • s2350
    • Rutinoside, quercetin-3, beta-
    • hydroxyethylrutoside
    • Rutin (Rutoside)
    • Rutin (Standard)
    • Venoruton (TN)
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-mannopyranoside
    • NSC 9220
    • EINECS 205-814-1
    • BRN 0075455
    • 3,3',4',5,7-Pentahydroxyflavone 3-rutinoside
    • AI3-19098
    • RUTIN [VANDF]
    • RUTIN [DSC]
    • quercetin-3-O-rutinnoside
    • RUTIN [USP-RS]
    • RUTIN [MI]
    • quercetin-3-rhamnoglucoside
    • Rutoside [INN:JAN:NF]
    • RUTOSIDE [WHO-DD]
    • beta-Quercetin-3-rutinoside
    • BIDD:PXR0020
    • SCHEMBL23243
    • 5-18-05-00519 (Beilstein Handbook Reference)
    • MLS000759398
    • MLS001424098
    • quercetin-3-O-glucorhamnoside
    • BIDD:ER0377
    • DivK1c_000644
    • MEGxp0_000068
    • orb1310285
    • orb1684279
    • Rutin from Sophora japonica L.
    • SCHEMBL29362191
    • SCHEMBL29393419
    • ACon1_000075
    • 153-18-4

  • Applications

    Rutin (CAS 153-18-4) is a natural flavonol glycoside used as a source of flavonoids in various formulations. In cosmetics and personal care, it is regarded as an antioxidant and stabilizer for skin care products. In polymers and coatings, rutin can serve as an additive to improve oxidative stability of plastics, elastomers, and related materials. In pharmaceutical research and nutraceutical development, it is used as a botanical reference compound and as a precursor for flavonoid synthesis. In analytical applications, rutin is used as a standard reference for flavonoid quantification and quality-control workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.64
    methanol 19.51
    isopropanol 2.55
    water 0.14
    ethyl acetate 0.19
    n-propanol 5.99
    acetone 1.12
    n-butanol 1.97
    acetonitrile 0.2
    DMF 23.82
    toluene 0.05
    isobutanol 1.02
    1,4-dioxane 6.44
    methyl acetate 0.62
    THF 11.15
    2-butanone 1.44
    n-pentanol 0.79
    sec-butanol 1.88
    n-hexane 0.0
    ethylene glycol 22.4
    NMP 22.04
    cyclohexane 0.01
    DMSO 44.42
    n-butyl acetate 0.1
    n-octanol 0.52
    chloroform 0.06
    n-propyl acetate 0.13
    acetic acid 12.02
    dichloromethane 0.1
    cyclohexanone 1.4
    propylene glycol 26.23
    isopropyl acetate 0.09
    DMAc 19.62
    2-ethoxyethanol 14.65
    isopentanol 0.47
    n-heptane 0.01
    ethyl formate 0.69
    1,2-dichloroethane 0.12
    n-hexanol 0.29
    2-methoxyethanol 53.75
    isobutyl acetate 0.04
    tetrachloromethane 0.01
    n-pentyl acetate 0.35
    transcutol 14.05
    n-heptanol 0.58
    ethylbenzene 0.01
    MIBK 0.12
    2-propoxyethanol 5.7
    tert-butanol 0.55
    MTBE 0.17
    2-butoxyethanol 4.51
    propionic acid 3.03
    o-xylene 0.03
    formic acid 31.31
    diethyl ether 0.39
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.7
    n-octane 0.01
    formamide 24.03
    cyclopentanone 3.57
    2-pentanone 0.49
    anisole 0.1
    cyclopentyl methyl ether 0.57
    gamma-butyrolactone 4.47
    1-methoxy-2-propanol 18.9
    pyridine 1.56
    3-pentanone 0.33
    furfural 3.82
    n-dodecane 0.01
    diethylene glycol 11.89
    diisopropyl ether 0.02
    tert-amyl alcohol 0.65
    acetylacetone 0.57
    n-hexadecane 0.01
    acetophenone 0.15
    methyl propionate 0.64
    isopentyl acetate 0.07
    trichloroethylene 0.16
    n-nonanol 0.51
    cyclohexanol 0.67
    benzyl alcohol 0.44
    2-ethylhexanol 0.09
    isooctanol 0.26
    dipropyl ether 0.19
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.67
    propylene carbonate 0.6
    n-methylformamide 13.06
    2-pentanol 0.47
    n-pentane 0.01
    1-propoxy-2-propanol 2.52
    1-methoxy-2-propyl acetate 0.51
    2-(2-methoxypropoxy) propanol 2.78
    mesitylene 0.01
    ε-caprolactone 1.67
    p-cymene 0.01
    epichlorohydrin 3.63
    1,1,1-trichloroethane 0.01
    2-aminoethanol 25.61
    morpholine-4-carbaldehyde 26.96
    sulfolane 11.57
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.67
    n-hexyl acetate 0.4
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.69
    sec-butyl acetate 0.05
    tert-butyl acetate 0.1
    decalin 0.0
    glycerin 55.57
    diglyme 7.98
    acrylic acid 4.71
    isopropyl myristate 0.09
    n-butyric acid 1.4
    acetyl acetate 0.08
    di(2-ethylhexyl) phthalate 0.2
    ethyl propionate 0.11
    nitromethane 7.3
    1,2-diethoxyethane 0.87
    benzonitrile 0.08
    trioctyl phosphate 0.18
    1-bromopropane 0.05
    gamma-valerolactone 18.57
    n-decanol 0.3
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.1
    propionitrile 0.22
    vinylene carbonate 0.58
    1,1,2-trichlorotrifluoroethane 8.95
    DMS 0.28
    cumene 0.01
    2-octanol 0.27
    2-hexanone 0.22
    octyl acetate 0.25
    limonene 0.03
    1,2-dimethoxyethane 6.22
    ethyl orthosilicate 0.08
    tributyl phosphate 0.12
    diacetone alcohol 1.16
    N,N-dimethylaniline 0.08
    acrylonitrile 0.46
    aniline 0.3
    1,3-propanediol 21.42
    bromobenzene 0.01
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.18
    2-methyl-cyclohexyl acetate 0.08
    tetrabutyl urea 0.35
    diisobutyl methanol 0.04
    2-phenylethanol 0.19
    styrene 0.02
    dioctyl adipate 0.26
    dimethyl sulfate 1.71
    ethyl butyrate 0.1
    methyl lactate 3.87
    butyl lactate 1.04
    diethyl carbonate 0.06
    propanediol butyl ether 6.98
    triethyl orthoformate 0.17
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.51
    morpholine 16.14
    tert-butylamine 0.12
    n-dodecanol 0.16
    dimethoxymethane 7.95
    ethylene carbonate 0.4
    cyrene 4.0
    2-ethoxyethyl acetate 1.05
    2-ethylhexyl acetate 0.05
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.41
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.04
    DEF 1.6
    dimethyl isosorbide 2.05
    tetrachloroethylene 0.13
    eugenol 0.83
    triacetin 0.8
    span 80 3.25
    1,4-butanediol 4.98
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.27
    methyl formate 6.37
    2-methyl-1-butanol 0.72
    n-decane 0.01
    butyronitrile 0.15
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.05
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.9
    tetrahydropyran 1.54
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 5.42
    1-hexene 0.02
    2-isopropoxyethanol 3.09
    2,2,2-trifluoroethanol 2.81
    methyl butyrate 0.22

    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