beta-D-Glucopyranosiduronic acid,(3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    178535-51-8

    Molecular formula
    C41H62O16

    SMILES
    C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)OC([C@H](C(=O)O)O)OCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.33%
    Woody 30.78%
    Cooling 28.43%
    Spicy 26.65%
    Balsamic 26.58%
    Dry 25.53%
    Amber 24.29%
    Mint 22.4%
    Cedar 20.98%
    Sweet 20.93%

     

    Flavor
    Bitter 52.76%
    Odorless 42.54%
    Bland 29.95%
    Sweet-like 25.54%
    Mild 22.3%
    Very mild 21.68%
    Cedarleaf 20.59%
    Sandalwood 20.26%
    Ripe apricot 19.84%
    Clary 19.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    0.29 (strong acid)

    Molecular weight
    810.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    1287°C

    Flash point

    • 326.64 ˚C est.

  • Synonyms

    • Betavulgaroside VII
    • 178535-51-8
    • beta-D-Glucopyranosiduronic acid,(3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-
    • 178535-51-8

  • Applications

    beta-D-Glucopyranosiduronic acid,(3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-, CAS 178535-51-8 is a glucuronide-containing triterpenoid glycoside commonly evaluated as a synthetic intermediate or building block for further glycoside elaboration; it may also serve as a surfactant and emulsifier in cosmetic and personal care formulations, household and cleaning products; in pharmaceutical research, it provides a scaffold or precursor for glycoside-triterpenoid compounds with bioactive potential; in industrial manufacturing and polymers, it can function as a synthetic intermediate or stabilizing emulsifier additive for polymer systems; and in coatings and inks, it may act as an emulsifying or stabilizing additive for aqueous formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.28
    methanol 14.22
    isopropanol 0.63
    water 0.04
    ethyl acetate 0.55
    n-propanol 1.11
    acetone 3.28
    n-butanol 0.39
    acetonitrile 0.63
    DMF 30.67
    toluene 0.18
    isobutanol 0.36
    1,4-dioxane 4.37
    methyl acetate 1.11
    THF 8.18
    2-butanone 1.52
    n-pentanol 0.34
    sec-butanol 0.33
    n-hexane 0.01
    ethylene glycol 3.29
    NMP 19.96
    cyclohexane 0.02
    DMSO 30.52
    n-butyl acetate 0.24
    n-octanol 0.25
    chloroform 0.78
    n-propyl acetate 0.34
    acetic acid 10.02
    dichloromethane 0.91
    cyclohexanone 1.45
    propylene glycol 3.39
    isopropyl acetate 0.29
    DMAc 19.66
    2-ethoxyethanol 4.86
    isopentanol 0.21
    n-heptane 0.01
    ethyl formate 0.97
    1,2-dichloroethane 0.57
    n-hexanol 0.22
    2-methoxyethanol 13.08
    isobutyl acetate 0.16
    tetrachloromethane 0.12
    n-pentyl acetate 0.46
    transcutol 5.54
    n-heptanol 0.3
    ethylbenzene 0.07
    MIBK 0.38
    2-propoxyethanol 4.13
    tert-butanol 0.36
    MTBE 0.23
    2-butoxyethanol 2.43
    propionic acid 1.4
    o-xylene 0.12
    formic acid 14.63
    diethyl ether 0.41
    m-xylene 0.12
    p-xylene 0.09
    chlorobenzene 0.15
    dimethyl carbonate 2.03
    n-octane 0.01
    formamide 12.61
    cyclopentanone 4.18
    2-pentanone 0.8
    anisole 0.39
    cyclopentyl methyl ether 0.82
    gamma-butyrolactone 5.49
    1-methoxy-2-propanol 6.27
    pyridine 1.99
    3-pentanone 0.73
    furfural 4.98
    n-dodecane 0.0
    diethylene glycol 6.57
    diisopropyl ether 0.06
    tert-amyl alcohol 0.26
    acetylacetone 2.13
    n-hexadecane 0.01
    acetophenone 0.61
    methyl propionate 1.2
    isopentyl acetate 0.19
    trichloroethylene 1.38
    n-nonanol 0.24
    cyclohexanol 0.22
    benzyl alcohol 0.62
    2-ethylhexanol 0.08
    isooctanol 0.17
    dipropyl ether 0.24
    1,2-dichlorobenzene 0.15
    ethyl lactate 0.73
    propylene carbonate 1.11
    n-methylformamide 10.65
    2-pentanol 0.15
    n-pentane 0.01
    1-propoxy-2-propanol 1.64
    1-methoxy-2-propyl acetate 1.05
    2-(2-methoxypropoxy) propanol 1.67
    mesitylene 0.06
    ε-caprolactone 1.27
    p-cymene 0.04
    epichlorohydrin 4.57
    1,1,1-trichloroethane 0.2
    2-aminoethanol 3.83
    morpholine-4-carbaldehyde 17.46
    sulfolane 12.78
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.06
    n-hexyl acetate 0.46
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.41
    sec-butyl acetate 0.15
    tert-butyl acetate 0.35
    decalin 0.01
    glycerin 9.58
    diglyme 5.12
    acrylic acid 2.82
    isopropyl myristate 0.1
    n-butyric acid 0.83
    acetyl acetate 0.59
    di(2-ethylhexyl) phthalate 0.27
    ethyl propionate 0.32
    nitromethane 12.95
    1,2-diethoxyethane 0.79
    benzonitrile 0.28
    trioctyl phosphate 0.17
    1-bromopropane 0.14
    gamma-valerolactone 11.73
    n-decanol 0.13
    triethyl phosphate 0.17
    4-methyl-2-pentanol 0.09
    propionitrile 0.37
    vinylene carbonate 1.36
    1,1,2-trichlorotrifluoroethane 8.49
    DMS 0.73
    cumene 0.05
    2-octanol 0.15
    2-hexanone 0.45
    octyl acetate 0.21
    limonene 0.06
    1,2-dimethoxyethane 5.04
    ethyl orthosilicate 0.16
    tributyl phosphate 0.13
    diacetone alcohol 1.34
    N,N-dimethylaniline 0.38
    acrylonitrile 0.98
    aniline 0.39
    1,3-propanediol 2.96
    bromobenzene 0.11
    dibromomethane 0.34
    1,1,2,2-tetrachloroethane 1.06
    2-methyl-cyclohexyl acetate 0.21
    tetrabutyl urea 0.33
    diisobutyl methanol 0.05
    2-phenylethanol 0.45
    styrene 0.08
    dioctyl adipate 0.27
    dimethyl sulfate 4.94
    ethyl butyrate 0.23
    methyl lactate 2.86
    butyl lactate 0.77
    diethyl carbonate 0.14
    propanediol butyl ether 2.77
    triethyl orthoformate 0.27
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.0
    morpholine 5.03
    tert-butylamine 0.09
    n-dodecanol 0.07
    dimethoxymethane 11.27
    ethylene carbonate 0.81
    cyrene 4.11
    2-ethoxyethyl acetate 1.37
    2-ethylhexyl acetate 0.14
    1,2,4-trichlorobenzene 0.25
    4-methylpyridine 0.8
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.05
    DEF 1.65
    dimethyl isosorbide 2.83
    tetrachloroethylene 0.92
    eugenol 1.22
    triacetin 1.14
    span 80 1.45
    1,4-butanediol 1.19
    1,1-dichloroethane 0.24
    2-methyl-1-pentanol 0.17
    methyl formate 8.56
    2-methyl-1-butanol 0.22
    n-decane 0.01
    butyronitrile 0.22
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.57
    tetrahydropyran 0.93
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 3.04
    1-hexene 0.04
    2-isopropoxyethanol 1.72
    2,2,2-trifluoroethanol 2.79
    methyl butyrate 0.46

    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