Sennoside B

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  • Identifiers

    CAS number
    128-57-4

    Molecular formula
    C42H38O20

    SMILES
    C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 77.68%
    Vanilla 26.7%
    Sweet 25.75%
    Balsamic 22.47%
    Phenolic 21.68%
    Milky 21.68%
    Bitter 20.27%
    Savory 18.2%
    Clean 18.02%
    Spicy 17.71%

     

    Flavor
    Bitter 89.47%
    Odorless 36.37%
    Bland 33.18%
    Sweet-like 24.54%
    Very mild 20.57%
    Cedarleaf 20.02%
    Lovage 19.08%
    Nitrile 18.94%
    Parsley 18.77%
    Heather 18.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    1.48 (strong acid)

    Molecular weight
    862.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6935°C

    Flash point

    • 371.87 ˚C est.

  • Synonyms

    • Sennoside B
    • 128-57-4
    • EINECS 204-895-0
    • NSC 112930
    • F887D1637W
    • SENNOSIDE B [USP-RS]
    • SENNOSIDE B [WHO-DD]
    • DTXSID6051433
    • CHEBI:34975
    • (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
    • SENNOSIDE B (USP-RS)
    • SENNOSIDE B (CONSTITUENT OF SENNA LEAF AND PODS) [DSC]
    • (-)-(9R,9'S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
    • (9R,9'S)-5,5'-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-10,10'-DIOXO(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID
    • (9R,9'S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
    • (9S)-9-((9R)-2-carboxy-4-hydroxy-10-oxo-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-9H-anthracen-9-yl)-4-hydroxy-10-oxo-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-9H-anthracene-2-carboxylic acid
    • RefChem:884887
    • DTXCID5030034
    • SENNOSIDE B (CONSTITUENT OF SENNA LEAF AND PODS)
    • (9R,9'S)-5,5'-BIS(BETA-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-10,10'-DIOXO(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID
    • 204-895-0
    • Sennoside B CRS
    • MFCD00151528
    • (9R,9'S)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid
    • MLS002473001
    • [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-
    • SMR001397106
    • SennosideB
    • [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(|A-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-
    • NSC112930
    • Sennoside-B
    • UNII-F887D1637W
    • NSC-112930
    • Sennoside B RS
    • Sennoside B (Standard)
    • cid_91440
    • SCHEMBL441194
    • CHEMBL445268
    • orb1305095
    • SCHEMBL29833908
    • BDBM80739
    • HY-N0366R
    • Sennoside B (6CI,7CI,8CI)
    • IPQVTOJGNYVQEO-AIFLABODSA-N
    • HMS2226P04
    • C42H38O2
    • EX-A4953
    • MSK40351
    • SENNOSIDES SENNOSIDE B [MI]
    • LMPK13040017
    • s4018
    • AKOS016034289
    • CCG-270539
    • MS08137
    • ST075008
    • NS00079121
    • 128S574
    • Q27116344
    • (9R)-9-[(9S)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid
    • (9R)-9-{(9S)-5-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6 -tetrahydropyran-2-yloxy)]-2-carboxy-4-hydroxy-10-oxo(9-9-hydroanthryl)}-5-[(2 S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxy
    • (9R,9'S)-5,5'-Bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro[9,9'-bianthracene]-2,2'-dicarboxylic acid
    • (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4 ,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hyd roxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4 ,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
    • (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid
    • 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid
    • 5,5'-bis(b-delta-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid
    • 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid
    • 5,5'-bis(beta-delta-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid
    • 9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(hexopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-
    • methyl)(2H-3,4,5,6-tetrahydropyran-2 -yloxy)]-4-hydroxy-10-oxo-9-hydroanthracene-2-carboxylic acid
    • 128-57-4

  • Applications

    Primarily used in the pharmaceutical sector as a stimulant laxative ingredient in senna-based formulations; Sennoside B (CAS 128-57-4) is also encountered in herbal/dietary supplement products derived from Cassia species; it serves as a reference standard or marker compound for analytical quality control of senna extracts and total sennoside content by HPLC/LC-MS; widely studied in phytochemical research as an anthraquinone glycoside constituent of Senna; employed in method development and validation for analytic assays of sennosides in botanical materials; can function as a calibration standard in QA/QC laboratories for senna-derived product analysis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.88
    methanol 10.18
    isopropanol 3.43
    water 0.14
    ethyl acetate 2.25
    n-propanol 5.25
    acetone 5.07
    n-butanol 2.56
    acetonitrile 1.04
    DMF 34.63
    toluene 0.49
    isobutanol 1.5
    1,4-dioxane 10.14
    methyl acetate 3.35
    THF 22.31
    2-butanone 5.43
    n-pentanol 1.13
    sec-butanol 2.64
    n-hexane 0.03
    ethylene glycol 8.29
    NMP 30.58
    cyclohexane 0.06
    DMSO 37.66
    n-butyl acetate 0.68
    n-octanol 0.73
    chloroform 0.95
    n-propyl acetate 0.82
    acetic acid 16.68
    dichloromethane 1.13
    cyclohexanone 5.48
    propylene glycol 10.33
    isopropyl acetate 0.99
    DMAc 36.44
    2-ethoxyethanol 11.27
    isopentanol 0.9
    n-heptane 0.04
    ethyl formate 3.15
    1,2-dichloroethane 0.97
    n-hexanol 0.55
    2-methoxyethanol 33.8
    isobutyl acetate 0.2
    tetrachloromethane 0.18
    n-pentyl acetate 0.99
    transcutol 9.41
    n-heptanol 0.76
    ethylbenzene 0.13
    MIBK 0.69
    2-propoxyethanol 7.26
    tert-butanol 1.35
    MTBE 0.73
    2-butoxyethanol 4.65
    propionic acid 6.18
    o-xylene 0.25
    formic acid 18.95
    diethyl ether 1.82
    m-xylene 0.2
    p-xylene 0.11
    chlorobenzene 0.2
    dimethyl carbonate 3.81
    n-octane 0.03
    formamide 20.89
    cyclopentanone 12.34
    2-pentanone 2.84
    anisole 0.51
    cyclopentyl methyl ether 2.26
    gamma-butyrolactone 14.16
    1-methoxy-2-propanol 19.47
    pyridine 5.54
    3-pentanone 2.03
    furfural 8.15
    n-dodecane 0.02
    diethylene glycol 9.49
    diisopropyl ether 0.15
    tert-amyl alcohol 1.33
    acetylacetone 3.75
    n-hexadecane 0.02
    acetophenone 0.78
    methyl propionate 4.08
    isopentyl acetate 0.36
    trichloroethylene 1.72
    n-nonanol 0.74
    cyclohexanol 1.52
    benzyl alcohol 1.24
    2-ethylhexanol 0.23
    isooctanol 0.39
    dipropyl ether 0.74
    1,2-dichlorobenzene 0.14
    ethyl lactate 1.66
    propylene carbonate 2.85
    n-methylformamide 18.64
    2-pentanol 1.13
    n-pentane 0.06
    1-propoxy-2-propanol 3.99
    1-methoxy-2-propyl acetate 2.11
    2-(2-methoxypropoxy) propanol 2.59
    mesitylene 0.08
    ε-caprolactone 5.57
    p-cymene 0.07
    epichlorohydrin 8.79
    1,1,1-trichloroethane 0.27
    2-aminoethanol 10.44
    morpholine-4-carbaldehyde 29.56
    sulfolane 21.24
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.64
    n-hexyl acetate 0.95
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.27
    sec-butyl acetate 0.37
    tert-butyl acetate 0.74
    decalin 0.01
    glycerin 24.47
    diglyme 7.43
    acrylic acid 8.22
    isopropyl myristate 0.25
    n-butyric acid 4.79
    acetyl acetate 1.12
    di(2-ethylhexyl) phthalate 0.32
    ethyl propionate 0.97
    nitromethane 16.82
    1,2-diethoxyethane 1.8
    benzonitrile 0.42
    trioctyl phosphate 0.34
    1-bromopropane 0.5
    gamma-valerolactone 28.71
    n-decanol 0.46
    triethyl phosphate 0.35
    4-methyl-2-pentanol 0.31
    propionitrile 1.18
    vinylene carbonate 2.91
    1,1,2-trichlorotrifluoroethane 14.39
    DMS 1.14
    cumene 0.06
    2-octanol 0.47
    2-hexanone 0.92
    octyl acetate 0.53
    limonene 0.12
    1,2-dimethoxyethane 9.69
    ethyl orthosilicate 0.34
    tributyl phosphate 0.29
    diacetone alcohol 3.24
    N,N-dimethylaniline 0.39
    acrylonitrile 2.26
    aniline 1.46
    1,3-propanediol 12.33
    bromobenzene 0.12
    dibromomethane 0.54
    1,1,2,2-tetrachloroethane 1.56
    2-methyl-cyclohexyl acetate 0.3
    tetrabutyl urea 0.67
    diisobutyl methanol 0.12
    2-phenylethanol 0.66
    styrene 0.15
    dioctyl adipate 0.51
    dimethyl sulfate 6.59
    ethyl butyrate 0.67
    methyl lactate 8.35
    butyl lactate 1.71
    diethyl carbonate 0.39
    propanediol butyl ether 4.6
    triethyl orthoformate 0.7
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.04
    morpholine 17.28
    tert-butylamine 0.37
    n-dodecanol 0.27
    dimethoxymethane 15.8
    ethylene carbonate 2.27
    cyrene 3.82
    2-ethoxyethyl acetate 2.32
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 2.32
    dibutyl ether 0.47
    2,6-dimethyl-4-heptanol 0.12
    DEF 6.16
    dimethyl isosorbide 2.76
    tetrachloroethylene 1.21
    eugenol 1.26
    triacetin 1.41
    span 80 2.68
    1,4-butanediol 3.27
    1,1-dichloroethane 0.54
    2-methyl-1-pentanol 0.49
    methyl formate 11.73
    2-methyl-1-butanol 1.19
    n-decane 0.04
    butyronitrile 0.85
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.18
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 3.45
    tetrahydropyran 4.17
    tert-amyl methyl ether 0.76
    2,5,8-trioxanonane 4.47
    1-hexene 0.13
    2-isopropoxyethanol 3.68
    2,2,2-trifluoroethanol 6.36
    methyl butyrate 1.39

    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