Rutinyl succinate

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  • Identifiers

    CAS number
    267006-02-0

    Molecular formula
    C51H54O34

    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)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.55%
    Savory 23.32%
    Sour 22.97%
    Milky 18.43%
    Cooked 18.19%
    Clean 18.18%
    Roasted 15.87%
    Burnt 15.81%
    Buttery 15.49%
    Meaty 15.45%

     

    Flavor
    Odorless 59.99%
    Very mild 38.45%
    Bitter 38.28%
    Bland 35.59%
    Mild 30.84%
    Sweet-like 24.22%
    Yeast 21.92%
    Faint 19.74%
    Sour 19.25%
    Seedy 18.78%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    -1.74 (strong acid)

    Molecular weight
    1211.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    511°C

    Flash point

    • 251.9 ˚C est.

  • Synonyms

    • Rutinyl succinate
    • Rutan
    • UNII-88H869LO4X
    • 88H869LO4X
    • 267006-02-0
    • DTXSID60181208
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2,3,4-tris-O-(3-carboxy-1-oxopropyl)-6-O-(2,3,4-tris-O-(3-carboxy-1-oxopropyl)-6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-
    • 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((2,3,4-TRIS-O-(3-CARBOXY-1-OXOPROPYL)-6-O-(2,3,4-TRIS-O-(3-CARBOXY-1-OXOPROPYL)-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-
    • RefChem:180382
    • RUTINYL SUCCINATE [INCI]
    • DTXCID30103699
    • SCHEMBL29670769
    • Q27269930
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 2,3,4-tris-O-(3-carboxypropanoyl)-6-O-[2,3,4-tris-O-(3-carboxypropanoyl)-6-deoxy-alpha-L-mannopyranosyl]-beta-D-glucopyranoside
    • 267006-02-0

  • Applications

    Rutinyl succinate (CAS 267006-02-0) is an ester of rutin with potential antioxidant properties and may be used as an intermediate in pharmaceutical or specialty chemical synthesis as well as a stabilizing or antioxidant additive. In cosmetics/personal care, it may be evaluated as an antioxidant and stabilizer for skin-care and hair-care formulations. In the polymer and plastics sector, it can serve as a stabilizer and antioxidant additive for plastics and polymer systems. In coatings and inks, it may function as a stabilizer/antioxidant to improve durability and performance of the coating. Specific applications should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.45
    methanol 18.44
    isopropanol 10.31
    water 0.55
    ethyl acetate 5.7
    n-propanol 10.81
    acetone 30.19
    n-butanol 4.63
    acetonitrile 6.23
    DMF 247.01
    toluene 0.64
    isobutanol 4.55
    1,4-dioxane 60.94
    methyl acetate 17.42
    THF 107.01
    2-butanone 18.99
    n-pentanol 3.02
    sec-butanol 7.07
    n-hexane 0.07
    ethylene glycol 21.14
    NMP 218.51
    cyclohexane 0.11
    DMSO 397.13
    n-butyl acetate 2.52
    n-octanol 1.91
    chloroform 3.89
    n-propyl acetate 4.16
    acetic acid 65.64
    dichloromethane 6.44
    cyclohexanone 16.66
    propylene glycol 23.82
    isopropyl acetate 2.81
    DMAc 258.23
    2-ethoxyethanol 41.46
    isopentanol 2.26
    n-heptane 0.07
    ethyl formate 10.37
    1,2-dichloroethane 5.22
    n-hexanol 0.94
    2-methoxyethanol 96.93
    isobutyl acetate 1.18
    tetrachloromethane 0.36
    n-pentyl acetate 2.8
    transcutol 49.9
    n-heptanol 1.34
    ethylbenzene 0.29
    MIBK 1.75
    2-propoxyethanol 19.67
    tert-butanol 5.92
    MTBE 3.34
    2-butoxyethanol 13.88
    propionic acid 19.34
    o-xylene 0.47
    formic acid 62.0
    diethyl ether 4.19
    m-xylene 0.23
    p-xylene 0.5
    chlorobenzene 0.55
    dimethyl carbonate 15.1
    n-octane 0.05
    formamide 85.8
    cyclopentanone 49.07
    2-pentanone 6.29
    anisole 2.41
    cyclopentyl methyl ether 7.0
    gamma-butyrolactone 77.44
    1-methoxy-2-propanol 43.36
    pyridine 20.49
    3-pentanone 5.42
    furfural 48.71
    n-dodecane 0.05
    diethylene glycol 25.12
    diisopropyl ether 0.38
    tert-amyl alcohol 4.88
    acetylacetone 13.33
    n-hexadecane 0.05
    acetophenone 3.54
    methyl propionate 11.37
    isopentyl acetate 1.57
    trichloroethylene 7.47
    n-nonanol 2.1
    cyclohexanol 3.24
    benzyl alcohol 3.66
    2-ethylhexanol 0.48
    isooctanol 0.92
    dipropyl ether 2.22
    1,2-dichlorobenzene 0.47
    ethyl lactate 5.67
    propylene carbonate 14.72
    n-methylformamide 70.8
    2-pentanol 2.06
    n-pentane 0.08
    1-propoxy-2-propanol 11.61
    1-methoxy-2-propyl acetate 6.43
    2-(2-methoxypropoxy) propanol 13.39
    mesitylene 0.11
    ε-caprolactone 20.64
    p-cymene 0.16
    epichlorohydrin 51.33
    1,1,1-trichloroethane 1.25
    2-aminoethanol 24.85
    morpholine-4-carbaldehyde 181.25
    sulfolane 145.17
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 21.78
    n-hexyl acetate 3.58
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 21.79
    sec-butyl acetate 1.75
    tert-butyl acetate 2.36
    decalin 0.03
    glycerin 60.48
    diglyme 51.51
    acrylic acid 25.69
    isopropyl myristate 1.22
    n-butyric acid 9.67
    acetyl acetate 3.75
    di(2-ethylhexyl) phthalate 1.49
    ethyl propionate 3.76
    nitromethane 120.15
    1,2-diethoxyethane 8.69
    benzonitrile 1.94
    trioctyl phosphate 1.13
    1-bromopropane 1.45
    gamma-valerolactone 145.74
    n-decanol 1.45
    triethyl phosphate 1.7
    4-methyl-2-pentanol 0.59
    propionitrile 3.99
    vinylene carbonate 13.19
    1,1,2-trichlorotrifluoroethane 52.38
    DMS 5.34
    cumene 0.15
    2-octanol 1.03
    2-hexanone 4.39
    octyl acetate 2.36
    limonene 0.24
    1,2-dimethoxyethane 70.58
    ethyl orthosilicate 1.46
    tributyl phosphate 1.31
    diacetone alcohol 8.27
    N,N-dimethylaniline 1.83
    acrylonitrile 7.95
    aniline 3.12
    1,3-propanediol 27.8
    bromobenzene 0.34
    dibromomethane 2.24
    1,1,2,2-tetrachloroethane 7.95
    2-methyl-cyclohexyl acetate 1.4
    tetrabutyl urea 3.67
    diisobutyl methanol 0.27
    2-phenylethanol 1.62
    styrene 0.37
    dioctyl adipate 2.84
    dimethyl sulfate 40.39
    ethyl butyrate 2.34
    methyl lactate 19.25
    butyl lactate 4.9
    diethyl carbonate 1.71
    propanediol butyl ether 15.72
    triethyl orthoformate 2.99
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 4.32
    morpholine 77.14
    tert-butylamine 1.44
    n-dodecanol 0.97
    dimethoxymethane 61.62
    ethylene carbonate 10.6
    cyrene 17.73
    2-ethoxyethyl acetate 7.35
    2-ethylhexyl acetate 1.14
    1,2,4-trichlorobenzene 1.06
    4-methylpyridine 9.68
    dibutyl ether 2.41
    2,6-dimethyl-4-heptanol 0.27
    DEF 19.69
    dimethyl isosorbide 16.42
    tetrachloroethylene 3.59
    eugenol 4.98
    triacetin 7.02
    span 80 10.59
    1,4-butanediol 9.72
    1,1-dichloroethane 2.19
    2-methyl-1-pentanol 1.57
    methyl formate 56.03
    2-methyl-1-butanol 2.92
    n-decane 0.09
    butyronitrile 2.47
    3,7-dimethyl-1-octanol 0.82
    1-chlorooctane 0.41
    1-chlorotetradecane 0.17
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 11.02
    tetrahydropyran 14.97
    tert-amyl methyl ether 2.74
    2,5,8-trioxanonane 32.82
    1-hexene 0.34
    2-isopropoxyethanol 15.26
    2,2,2-trifluoroethanol 27.13
    methyl butyrate 6.32

    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