Cassiaside C

Overview IFRA Request a quote

  • Identifiers

    CAS number
    119170-52-4

    Molecular formula
    C27H32O15

    SMILES
    CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.5%
    Sweet 32.74%
    Vanilla 32.06%
    Milky 23.12%
    Phenolic 20.64%
    Creamy 19.34%
    Savory 19.33%
    Bitter 18.02%
    Smoky 16.96%
    Spicy 16.69%

     

    Flavor
    Bitter 70.6%
    Odorless 34.67%
    Bland 33.72%
    Sweet-like 28.29%
    Cedarleaf 20.52%
    Very mild 19.89%
    Parsley 19.73%
    Eugenol 19.56%
    Very slight 19.44%
    Lovage 19.05%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.45 (neutral)

    Molecular weight
    596.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5590°C

    Flash point

    • 304.34 ˚C est.

  • Synonyms

    • Cassiaside C
    • 119170-52-4
    • DTXSID201317838
    • 10-hydroxy-7-methoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
    • 10-hydroxy-7-methoxy-3-methyl-9-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxybenzo(g)isochromen-1-one
    • RefChem:123928
    • DTXCID201747637
    • CHEMBL3634701
    • 9-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-10-hydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one
    • orb1297432
    • toralactone 9-O-hexosyl-hexoside
    • CHEBI:191460
    • HY-N7628
    • BDBM50133155
    • MSK189225
    • toralactone-9-O-beta-D-gentiobioside
    • AKOS040760314
    • EBC-616200
    • 10-hydroxy-7-methoxy-3-methyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-1-one
    • DA-62087
    • MS-30579
    • CS-0134826
    • toralactone 9-O-beta-D-glucosyl-(1->6)-glucoside
    • toralactone 9-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside
    • 10-Hydroxy-7-methoxy-3-methyl-1-oxo-1H-naphtho[2,3-c]pyran-9-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • 9-[(6-O-|A-D-Glucopyranosyl-|A-D-glucopyranosyl)oxy]-10-hydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one
    • 119170-52-4

  • Applications

    Cassiaside C (CAS 119170-52-4) is an anthraquinone-type glycoside derived from Cassia seeds, primarily regarded as an intermediate in the synthesis of flavonoid/anthraquinone derivatives for research and specialty chemical production; in pharmaceuticals and related fine chemicals, it is commonly evaluated as a precursor for related derivatives. It is also studied for antioxidant activity and has potential as a functional ingredient in cosmetics and personal care formulations. As a plant-derived compound, it can serve as an analytical reference or standard for quantifying glycosides in Cassia extracts. In fragrance contexts, it may be evaluated as a fragrance precursor for aroma formulation research. Use should be subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.29
    methanol 8.43
    isopropanol 0.31
    water 0.44
    ethyl acetate 0.1
    n-propanol 0.81
    acetone 0.47
    n-butanol 0.37
    acetonitrile 0.16
    DMF 14.64
    toluene 0.06
    isobutanol 0.25
    1,4-dioxane 1.61
    methyl acetate 0.3
    THF 1.88
    2-butanone 0.46
    n-pentanol 0.22
    sec-butanol 0.29
    n-hexane 0.01
    ethylene glycol 7.78
    NMP 19.76
    cyclohexane 0.01
    DMSO 17.29
    n-butyl acetate 0.07
    n-octanol 0.21
    chloroform 0.11
    n-propyl acetate 0.08
    acetic acid 4.88
    dichloromethane 0.18
    cyclohexanone 0.76
    propylene glycol 6.17
    isopropyl acetate 0.06
    DMAc 13.03
    2-ethoxyethanol 3.4
    isopentanol 0.14
    n-heptane 0.02
    ethyl formate 0.33
    1,2-dichloroethane 0.13
    n-hexanol 0.12
    2-methoxyethanol 10.82
    isobutyl acetate 0.04
    tetrachloromethane 0.02
    n-pentyl acetate 0.2
    transcutol 5.63
    n-heptanol 0.28
    ethylbenzene 0.02
    MIBK 0.08
    2-propoxyethanol 2.22
    tert-butanol 0.13
    MTBE 0.06
    2-butoxyethanol 2.07
    propionic acid 1.34
    o-xylene 0.05
    formic acid 23.13
    diethyl ether 0.14
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.03
    dimethyl carbonate 0.78
    n-octane 0.01
    formamide 15.53
    cyclopentanone 1.48
    2-pentanone 0.21
    anisole 0.09
    cyclopentyl methyl ether 0.31
    gamma-butyrolactone 2.39
    1-methoxy-2-propanol 4.27
    pyridine 0.78
    3-pentanone 0.21
    furfural 2.8
    n-dodecane 0.01
    diethylene glycol 6.07
    diisopropyl ether 0.02
    tert-amyl alcohol 0.16
    acetylacetone 0.39
    n-hexadecane 0.01
    acetophenone 0.17
    methyl propionate 0.4
    isopentyl acetate 0.06
    trichloroethylene 0.24
    n-nonanol 0.22
    cyclohexanol 0.24
    benzyl alcohol 0.28
    2-ethylhexanol 0.06
    isooctanol 0.15
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.46
    propylene carbonate 0.54
    n-methylformamide 6.65
    2-pentanol 0.11
    n-pentane 0.01
    1-propoxy-2-propanol 1.12
    1-methoxy-2-propyl acetate 0.38
    2-(2-methoxypropoxy) propanol 1.55
    mesitylene 0.02
    ε-caprolactone 0.82
    p-cymene 0.02
    epichlorohydrin 1.31
    1,1,1-trichloroethane 0.02
    2-aminoethanol 5.76
    morpholine-4-carbaldehyde 13.85
    sulfolane 9.14
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.43
    n-hexyl acetate 0.21
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.39
    sec-butyl acetate 0.04
    tert-butyl acetate 0.07
    decalin 0.0
    glycerin 21.81
    diglyme 4.01
    acrylic acid 3.08
    isopropyl myristate 0.06
    n-butyric acid 0.55
    acetyl acetate 0.09
    di(2-ethylhexyl) phthalate 0.18
    ethyl propionate 0.08
    nitromethane 4.62
    1,2-diethoxyethane 0.38
    benzonitrile 0.11
    trioctyl phosphate 0.14
    1-bromopropane 0.05
    gamma-valerolactone 6.51
    n-decanol 0.13
    triethyl phosphate 0.11
    4-methyl-2-pentanol 0.04
    propionitrile 0.14
    vinylene carbonate 0.65
    1,1,2-trichlorotrifluoroethane 6.0
    DMS 0.28
    cumene 0.01
    2-octanol 0.13
    2-hexanone 0.13
    octyl acetate 0.14
    limonene 0.04
    1,2-dimethoxyethane 2.01
    ethyl orthosilicate 0.09
    tributyl phosphate 0.1
    diacetone alcohol 0.54
    N,N-dimethylaniline 0.1
    acrylonitrile 0.36
    aniline 0.2
    1,3-propanediol 3.59
    bromobenzene 0.02
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.23
    2-methyl-cyclohexyl acetate 0.09
    tetrabutyl urea 0.29
    diisobutyl methanol 0.03
    2-phenylethanol 0.17
    styrene 0.02
    dioctyl adipate 0.18
    dimethyl sulfate 2.41
    ethyl butyrate 0.08
    methyl lactate 2.48
    butyl lactate 0.61
    diethyl carbonate 0.06
    propanediol butyl ether 2.84
    triethyl orthoformate 0.14
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.51
    morpholine 2.76
    tert-butylamine 0.04
    n-dodecanol 0.08
    dimethoxymethane 3.7
    ethylene carbonate 0.4
    cyrene 3.16
    2-ethoxyethyl acetate 0.54
    2-ethylhexyl acetate 0.05
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.28
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.92
    dimethyl isosorbide 1.88
    tetrachloroethylene 0.22
    eugenol 0.76
    triacetin 0.64
    span 80 1.55
    1,4-butanediol 1.47
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.1
    methyl formate 3.8
    2-methyl-1-butanol 0.2
    n-decane 0.01
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.46
    tetrahydropyran 0.4
    tert-amyl methyl ether 0.09
    2,5,8-trioxanonane 3.03
    1-hexene 0.02
    2-isopropoxyethanol 1.03
    2,2,2-trifluoroethanol 2.74
    methyl butyrate 0.14

    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