Asiaticoside B

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  • Identifiers

    CAS number
    125265-68-1

    Molecular formula
    C48H78O20

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(C[C@H]([C@@H]8[C@@]7(C[C@H]([C@@H]([C@@]8(C)CO)O)O)C)O)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.47%
    Woody 35.75%
    Sweet 31.0%
    Spicy 27.4%
    Cooling 25.33%
    Balsamic 21.43%
    Mint 21.13%
    Amber 20.55%
    Dry 20.24%
    Warm 19.69%

     

    Flavor
    Bitter 59.67%
    Sweet 36.47%
    Odorless 33.99%
    Fatty 31.76%
    Sweet-like 28.69%
    Bland 24.39%
    Cedarleaf 21.79%
    Patchouli 21.03%
    Mentholic 20.98%
    Cauliflower 20.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    3.31 (weak acid)

    Molecular weight
    975.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3529°C

    Flash point

    • 252.45 ˚C est.

  • Synonyms

    • ASIATICOSIDE B
    • 125265-68-1
    • Terminoloside
    • 17E01H280E
    • DTXSID101317354
    • Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-o-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha,6beta)-
    • RefChem:114512
    • DTXCID901747171
    • ((2S,3R,4S,5S,6R)-6-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl) (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
    • UNII-17E01H280E
    • MFCD32197362
    • Asiaticoside B (Standard)
    • orb1297631
    • SCHEMBL29760355
    • HY-N5052R
    • CHEBI:187486
    • AFA26568
    • HY-N5052
    • AKOS040760100
    • EBC-617319
    • DA-61257
    • MS-31826
    • CS-0032200
    • D85110
    • Q27251906
    • ASIATICOSIDE B (CONSTITUENT OF CENTELLA ASIATICA) [DSC]
    • (2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (4aS,6aS,6bR,8R,8aR,9R,10R,11R,
    • 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-(2alpha,3beta,6,23-tetrahydroxy-28-oxoolean-12-en-28-yl)-beta-D-glucopyranose
    • OLEAN-12-EN-28-OIC ACID, 2,3,6,23-TETRAHYDROXY-, O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSYL ESTER, (2.ALPHA.,3.BETA.,4.ALPHA.,6.BETA.)-
    • 125265-68-1

  • Applications

    Asiaticoside B, CAS 125265-68-1, is a triterpenoid glycoside saponin with surface-active and stabilizing properties; in industrial practice it may be used as a surfactant or emulsifier in cosmetics and personal care, as an intermediate for the synthesis of pharmaceutical derivatives, evaluated as an additive in polymers and plastics to improve dispersion and emulsion stability, considered for coatings, paints, and inks as a surface-active or stabilizing component, and applicable in cleaning or household products as a surfactant or cleaning aid, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.79
    methanol 25.34
    isopropanol 0.41
    water 0.09
    ethyl acetate 0.69
    n-propanol 0.77
    acetone 1.83
    n-butanol 0.3
    acetonitrile 0.62
    DMF 25.14
    toluene 0.23
    isobutanol 0.26
    1,4-dioxane 4.94
    methyl acetate 1.01
    THF 7.81
    2-butanone 1.04
    n-pentanol 0.25
    sec-butanol 0.23
    n-hexane 0.01
    ethylene glycol 4.59
    NMP 22.4
    cyclohexane 0.02
    DMSO 24.93
    n-butyl acetate 0.33
    n-octanol 0.37
    chloroform 1.26
    n-propyl acetate 0.34
    acetic acid 12.78
    dichloromethane 1.31
    cyclohexanone 1.48
    propylene glycol 2.77
    isopropyl acetate 0.4
    DMAc 15.63
    2-ethoxyethanol 4.59
    isopentanol 0.16
    n-heptane 0.02
    ethyl formate 1.11
    1,2-dichloroethane 0.63
    n-hexanol 0.24
    2-methoxyethanol 12.86
    isobutyl acetate 0.18
    tetrachloromethane 0.15
    n-pentyl acetate 0.76
    transcutol 8.69
    n-heptanol 0.47
    ethylbenzene 0.09
    MIBK 0.36
    2-propoxyethanol 5.01
    tert-butanol 0.25
    MTBE 0.19
    2-butoxyethanol 3.63
    propionic acid 1.57
    o-xylene 0.16
    formic acid 31.42
    diethyl ether 0.42
    m-xylene 0.16
    p-xylene 0.1
    chlorobenzene 0.22
    dimethyl carbonate 2.7
    n-octane 0.01
    formamide 18.79
    cyclopentanone 3.88
    2-pentanone 0.66
    anisole 0.5
    cyclopentyl methyl ether 1.02
    gamma-butyrolactone 5.93
    1-methoxy-2-propanol 4.99
    pyridine 2.54
    3-pentanone 0.6
    furfural 8.2
    n-dodecane 0.01
    diethylene glycol 8.97
    diisopropyl ether 0.07
    tert-amyl alcohol 0.19
    acetylacetone 2.35
    n-hexadecane 0.01
    acetophenone 0.79
    methyl propionate 1.36
    isopentyl acetate 0.28
    trichloroethylene 2.0
    n-nonanol 0.37
    cyclohexanol 0.24
    benzyl alcohol 0.78
    2-ethylhexanol 0.11
    isooctanol 0.27
    dipropyl ether 0.3
    1,2-dichlorobenzene 0.26
    ethyl lactate 0.92
    propylene carbonate 1.79
    n-methylformamide 11.84
    2-pentanol 0.13
    n-pentane 0.02
    1-propoxy-2-propanol 2.12
    1-methoxy-2-propyl acetate 1.8
    2-(2-methoxypropoxy) propanol 2.46
    mesitylene 0.09
    ε-caprolactone 1.7
    p-cymene 0.08
    epichlorohydrin 5.16
    1,1,1-trichloroethane 0.23
    2-aminoethanol 4.16
    morpholine-4-carbaldehyde 24.19
    sulfolane 14.97
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.02
    n-hexyl acetate 0.75
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.79
    sec-butyl acetate 0.18
    tert-butyl acetate 0.45
    decalin 0.01
    glycerin 10.51
    diglyme 8.18
    acrylic acid 3.99
    isopropyl myristate 0.16
    n-butyric acid 1.07
    acetyl acetate 0.94
    di(2-ethylhexyl) phthalate 0.46
    ethyl propionate 0.36
    nitromethane 16.46
    1,2-diethoxyethane 1.1
    benzonitrile 0.44
    trioctyl phosphate 0.28
    1-bromopropane 0.14
    gamma-valerolactone 15.28
    n-decanol 0.2
    triethyl phosphate 0.28
    4-methyl-2-pentanol 0.09
    propionitrile 0.37
    vinylene carbonate 2.49
    1,1,2-trichlorotrifluoroethane 13.2
    DMS 1.18
    cumene 0.06
    2-octanol 0.21
    2-hexanone 0.36
    octyl acetate 0.34
    limonene 0.1
    1,2-dimethoxyethane 4.73
    ethyl orthosilicate 0.25
    tributyl phosphate 0.21
    diacetone alcohol 1.45
    N,N-dimethylaniline 0.47
    acrylonitrile 1.05
    aniline 0.51
    1,3-propanediol 2.55
    bromobenzene 0.18
    dibromomethane 0.49
    1,1,2,2-tetrachloroethane 1.37
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.46
    diisobutyl methanol 0.07
    2-phenylethanol 0.72
    styrene 0.1
    dioctyl adipate 0.43
    dimethyl sulfate 6.43
    ethyl butyrate 0.3
    methyl lactate 3.93
    butyl lactate 1.26
    diethyl carbonate 0.21
    propanediol butyl ether 4.05
    triethyl orthoformate 0.41
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.78
    morpholine 5.06
    tert-butylamine 0.07
    n-dodecanol 0.11
    dimethoxymethane 11.92
    ethylene carbonate 1.33
    cyrene 5.37
    2-ethoxyethyl acetate 2.41
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.43
    4-methylpyridine 1.0
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.07
    DEF 1.82
    dimethyl isosorbide 4.61
    tetrachloroethylene 1.26
    eugenol 2.03
    triacetin 2.09
    span 80 2.38
    1,4-butanediol 1.06
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.15
    methyl formate 10.14
    2-methyl-1-butanol 0.17
    n-decane 0.02
    butyronitrile 0.22
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.09
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.5
    tetrahydropyran 0.89
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 4.94
    1-hexene 0.04
    2-isopropoxyethanol 1.67
    2,2,2-trifluoroethanol 4.78
    methyl butyrate 0.48

    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