Caffeoylcalleryanin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20300-49-6

    Molecular formula
    C22H24O11

    SMILES
    C1=CC(=C(C=C1COC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.3%
    Vanilla 34.29%
    Savory 24.44%
    Milky 24.27%
    Balsamic 23.01%
    Phenolic 22.83%
    Spicy 21.1%
    Burnt 20.24%
    Creamy 18.18%
    Bitter 17.66%

     

    Flavor
    Bitter 79.33%
    Odorless 38.75%
    Bland 35.31%
    Sweet-like 26.04%
    Very mild 23.66%
    Mild 20.62%
    Parsley 20.03%
    Cedarleaf 19.83%
    Lovage 19.65%
    Ethyl benzoate 19.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    9.3 (weak base)

    Molecular weight
    464.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2402°C

    Flash point

    • 290.35 ˚C est.

  • Synonyms

    • Caffeoylcalleryanin
    • 20300-49-6
    • orb2299373
    • HY-N12987
    • FS-8585
    • CS-1099871
    • [3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • 20300-49-6

  • Applications

    Caffeoylcalleryanin (CAS 20300-49-6) is a natural phenolic compound with antioxidant and stabilizing properties that is typically explored for a range of industrial applications. In practice, it may be used as an oxidation stabilizer in cosmetic and personal care formulations to improve the durability of oxidizable components; as a natural antioxidant in food processing and finished food products to extend shelf life; as a stabilizer and processing additive in coatings, inks, and polymer systems; as a starting material or intermediate in the synthesis of other polyphenolic compounds for pharmaceutical and chemical applications; and as a potential component in household cleaning formulations to improve formulation stability and material durability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.32
    methanol 260.19
    isopropanol 129.84
    water 11.44
    ethyl acetate 55.13
    n-propanol 123.17
    acetone 410.08
    n-butanol 72.59
    acetonitrile 61.39
    DMF 333.81
    toluene 3.86
    isobutanol 27.77
    1,4-dioxane 212.68
    methyl acetate 57.44
    THF 698.49
    2-butanone 115.5
    n-pentanol 23.82
    sec-butanol 55.62
    n-hexane 0.21
    ethylene glycol 244.31
    NMP 114.39
    cyclohexane 0.88
    DMSO 2748.38
    n-butyl acetate 2.13
    n-octanol 9.26
    chloroform 1.78
    n-propyl acetate 5.91
    acetic acid 439.24
    dichloromethane 3.18
    cyclohexanone 63.14
    propylene glycol 200.69
    isopropyl acetate 20.61
    DMAc 328.18
    2-ethoxyethanol 292.96
    isopentanol 21.18
    n-heptane 0.61
    ethyl formate 36.89
    1,2-dichloroethane 6.87
    n-hexanol 6.9
    2-methoxyethanol 868.73
    isobutyl acetate 1.05
    tetrachloromethane 0.41
    n-pentyl acetate 5.54
    transcutol 135.35
    n-heptanol 8.68
    ethylbenzene 0.82
    MIBK 16.01
    2-propoxyethanol 70.75
    tert-butanol 65.98
    MTBE 16.76
    2-butoxyethanol 37.18
    propionic acid 70.48
    o-xylene 2.08
    formic acid 413.31
    diethyl ether 43.45
    m-xylene 1.6
    p-xylene 0.73
    chlorobenzene 0.84
    dimethyl carbonate 44.39
    n-octane 0.49
    formamide 651.82
    cyclopentanone 181.95
    2-pentanone 87.24
    anisole 6.21
    cyclopentyl methyl ether 52.74
    gamma-butyrolactone 144.97
    1-methoxy-2-propanol 391.77
    pyridine 49.37
    3-pentanone 34.57
    furfural 57.1
    n-dodecane 0.37
    diethylene glycol 114.57
    diisopropyl ether 3.4
    tert-amyl alcohol 32.2
    acetylacetone 139.16
    n-hexadecane 0.41
    acetophenone 6.51
    methyl propionate 62.97
    isopentyl acetate 1.28
    trichloroethylene 7.05
    n-nonanol 9.29
    cyclohexanol 32.96
    benzyl alcohol 12.57
    2-ethylhexanol 1.65
    isooctanol 4.03
    dipropyl ether 8.74
    1,2-dichlorobenzene 0.44
    ethyl lactate 10.92
    propylene carbonate 14.02
    n-methylformamide 246.53
    2-pentanol 29.49
    n-pentane 0.56
    1-propoxy-2-propanol 31.02
    1-methoxy-2-propyl acetate 10.1
    2-(2-methoxypropoxy) propanol 21.36
    mesitylene 0.75
    ε-caprolactone 37.59
    p-cymene 0.42
    epichlorohydrin 132.23
    1,1,1-trichloroethane 1.6
    2-aminoethanol 257.28
    morpholine-4-carbaldehyde 182.0
    sulfolane 225.16
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 103.06
    n-hexyl acetate 6.95
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 52.24
    sec-butyl acetate 2.66
    tert-butyl acetate 14.58
    decalin 0.13
    glycerin 343.29
    diglyme 90.66
    acrylic acid 74.45
    isopropyl myristate 2.73
    n-butyric acid 73.28
    acetyl acetate 21.57
    di(2-ethylhexyl) phthalate 2.16
    ethyl propionate 7.32
    nitromethane 643.28
    1,2-diethoxyethane 22.73
    benzonitrile 2.88
    trioctyl phosphate 2.55
    1-bromopropane 2.77
    gamma-valerolactone 269.93
    n-decanol 6.7
    triethyl phosphate 1.38
    4-methyl-2-pentanol 5.45
    propionitrile 17.35
    vinylene carbonate 10.89
    1,1,2-trichlorotrifluoroethane 81.34
    DMS 5.0
    cumene 0.35
    2-octanol 5.3
    2-hexanone 10.21
    octyl acetate 5.51
    limonene 0.89
    1,2-dimethoxyethane 157.95
    ethyl orthosilicate 1.49
    tributyl phosphate 1.77
    diacetone alcohol 68.3
    N,N-dimethylaniline 3.41
    acrylonitrile 26.5
    aniline 17.01
    1,3-propanediol 366.38
    bromobenzene 0.46
    dibromomethane 1.61
    1,1,2,2-tetrachloroethane 7.06
    2-methyl-cyclohexyl acetate 1.33
    tetrabutyl urea 4.94
    diisobutyl methanol 1.29
    2-phenylethanol 4.4
    styrene 0.96
    dioctyl adipate 4.58
    dimethyl sulfate 55.67
    ethyl butyrate 2.84
    methyl lactate 76.89
    butyl lactate 7.53
    diethyl carbonate 1.31
    propanediol butyl ether 40.98
    triethyl orthoformate 2.9
    p-tert-butyltoluene 0.47
    methyl 4-tert-butylbenzoate 7.79
    morpholine 315.32
    tert-butylamine 10.54
    n-dodecanol 4.72
    dimethoxymethane 371.7
    ethylene carbonate 11.08
    cyrene 29.51
    2-ethoxyethyl acetate 14.58
    2-ethylhexyl acetate 0.75
    1,2,4-trichlorobenzene 0.94
    4-methylpyridine 18.67
    dibutyl ether 6.69
    2,6-dimethyl-4-heptanol 1.29
    DEF 69.99
    dimethyl isosorbide 18.39
    tetrachloroethylene 3.92
    eugenol 8.02
    triacetin 9.75
    span 80 20.03
    1,4-butanediol 85.53
    1,1-dichloroethane 3.43
    2-methyl-1-pentanol 7.45
    methyl formate 179.43
    2-methyl-1-butanol 19.95
    n-decane 0.71
    butyronitrile 15.8
    3,7-dimethyl-1-octanol 3.29
    1-chlorooctane 1.86
    1-chlorotetradecane 0.7
    n-nonane 0.63
    undecane 0.49
    tert-butylcyclohexane 0.07
    cyclooctane 0.41
    cyclopentanol 83.13
    tetrahydropyran 102.37
    tert-amyl methyl ether 12.92
    2,5,8-trioxanonane 62.13
    1-hexene 0.95
    2-isopropoxyethanol 82.43
    2,2,2-trifluoroethanol 100.72
    methyl butyrate 9.32

    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