Protodioscin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    55056-80-9

    Molecular formula
    C51H84O22

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.56%
    Sweet 32.61%
    Woody 26.23%
    Cooling 23.86%
    Spicy 19.8%
    Mint 19.78%
    Milky 19.51%
    Vanilla 18.59%
    Warm 17.06%
    Amber 16.5%

     

    Flavor
    Bitter 44.7%
    Sweet 44.22%
    Fatty 38.36%
    Odorless 37.3%
    Sweet-like 29.27%
    Bland 22.07%
    Metallic 22.03%
    Cauliflower 21.73%
    Mentholic 21.17%
    Alkaline 21.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    4.53 (weak acid)

    Molecular weight
    1049.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3244°C

    Flash point

    • 220.06 ˚C est.

  • Synonyms

    • Protodioscin
    • 55056-80-9
    • D0LC3PH24P
    • CHEBI:8588
    • (3beta,22R,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside
    • DTXSID901021361
    • NSC698796
    • (3beta,22R,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-(alpha-L-rhamnopyranosyl-(1->4))-beta-D-glucopyranoside
    • RefChem:46278
    • DTXCID201506463
    • beta-D-Glucopyranoside, (3beta,22beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->4))-
    • (2S,3R,4R,5R,6S)-2-((2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(((1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-((3R)-3-methyl-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybutyl)-5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-en-16-yl)oxy)-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol
    • Furostanol I
    • Protodioscin?
    • MFCD03427682
    • Furostane base-2H + O-Hex, O-Hex-dHex-dHex
    • 90288-44-1
    • UNII-D0LC3PH24P
    • proto-dioscin
    • PROTODIOSCINE
    • Protodioscin (Standard)
    • PROTODIOSCIN [WHO-DD]
    • SCHEMBL786390
    • orb1305696
    • CHEMBL4782480
    • HY-N0799R
    • EX-A3793
    • Furost-5-ene-3,22,26-triol 3-chacotrioside-26-glucopyranoside
    • HY-N0799
    • s3830
    • AKOS025311548
    • CCG-270619
    • CS-6050
    • EBC-509148
    • OP09383
    • AS-75278
    • SY231911
    • NS00123326
    • C08907
    • 056P809
    • Q7251968
    • (3b, 25R)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-[6-deoxy-a-L-mannopyranosyl-(1- 4)]-b-D-glucopyranoside
    • .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-
    • 26-O-.BETA.-D-GLUCOPYRANOSYL-(25R)-FUROST-5-ENE-3.BETA.,22.ALPHA.,26-TRIOL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1-2)-(.ALPHA.-L-RHAMNOPYRANOSYL-(1-4))-.BETA.-D-GLUCOPYRANOSIDE
    • 3.BETA.,22.ALPHA.,26-TRIHYDROXYFUROST-5-ENE 3-O-.BETA.-CHACOTRIOSIDE 26-O-.BETA.-D-GLUCOPYRANOSIDE
    • beta-D-Glucopyranoside, (3beta,22alpha)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-, (R-(Z))-
    • 55056-80-9

  • Applications

    Protodioscin (CAS 55056-80-9) is a natural steroidal saponin isolated from Tribulus terrestris; in real-world applications it is primarily used as a phytochemical constituent in Tribulus-derived extracts for nutraceuticals and cosmetic/personal care formulations, and is studied as an active component in health-related botanical products based on Tribulus extracts; in analytical work it is commonly used as a reference standard for identifying and quantifying saponins in plant samples; in research and development, it can serve as an intermediate or precursor in the synthesis of other steroidal saponins; in addition, protodioscin is used as a reagent in pharmacognosy and plant biochemistry studies; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.46
    methanol 18.62
    isopropanol 0.44
    water 0.26
    ethyl acetate 1.85
    n-propanol 0.96
    acetone 3.27
    n-butanol 0.51
    acetonitrile 1.37
    DMF 35.3
    toluene 0.44
    isobutanol 0.36
    1,4-dioxane 8.1
    methyl acetate 2.28
    THF 11.64
    2-butanone 1.95
    n-pentanol 0.47
    sec-butanol 0.32
    n-hexane 0.01
    ethylene glycol 4.71
    NMP 39.19
    cyclohexane 0.03
    DMSO 48.75
    n-butyl acetate 0.89
    n-octanol 0.86
    chloroform 3.09
    n-propyl acetate 0.98
    acetic acid 29.89
    dichloromethane 3.47
    cyclohexanone 3.79
    propylene glycol 3.05
    isopropyl acetate 1.13
    DMAc 30.13
    2-ethoxyethanol 8.51
    isopentanol 0.31
    n-heptane 0.03
    ethyl formate 2.63
    1,2-dichloroethane 1.39
    n-hexanol 0.43
    2-methoxyethanol 19.08
    isobutyl acetate 0.54
    tetrachloromethane 0.4
    n-pentyl acetate 2.28
    transcutol 17.92
    n-heptanol 1.01
    ethylbenzene 0.19
    MIBK 0.89
    2-propoxyethanol 7.82
    tert-butanol 0.31
    MTBE 0.34
    2-butoxyethanol 7.77
    propionic acid 3.31
    o-xylene 0.33
    formic acid 50.41
    diethyl ether 0.65
    m-xylene 0.34
    p-xylene 0.23
    chlorobenzene 0.63
    dimethyl carbonate 6.36
    n-octane 0.02
    formamide 33.87
    cyclopentanone 8.09
    2-pentanone 1.51
    anisole 1.21
    cyclopentyl methyl ether 1.95
    gamma-butyrolactone 13.72
    1-methoxy-2-propanol 8.0
    pyridine 4.73
    3-pentanone 1.33
    furfural 23.06
    n-dodecane 0.02
    diethylene glycol 11.66
    diisopropyl ether 0.15
    tert-amyl alcohol 0.31
    acetylacetone 6.63
    n-hexadecane 0.02
    acetophenone 2.12
    methyl propionate 3.02
    isopentyl acetate 0.77
    trichloroethylene 5.19
    n-nonanol 0.92
    cyclohexanol 0.46
    benzyl alcohol 1.73
    2-ethylhexanol 0.27
    isooctanol 0.61
    dipropyl ether 0.61
    1,2-dichlorobenzene 0.81
    ethyl lactate 2.3
    propylene carbonate 5.36
    n-methylformamide 17.25
    2-pentanol 0.22
    n-pentane 0.02
    1-propoxy-2-propanol 3.97
    1-methoxy-2-propyl acetate 3.94
    2-(2-methoxypropoxy) propanol 5.51
    mesitylene 0.19
    ε-caprolactone 4.83
    p-cymene 0.21
    epichlorohydrin 11.7
    1,1,1-trichloroethane 0.7
    2-aminoethanol 4.85
    morpholine-4-carbaldehyde 46.31
    sulfolane 37.2
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.82
    n-hexyl acetate 2.21
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.36
    sec-butyl acetate 0.55
    tert-butyl acetate 1.17
    decalin 0.02
    glycerin 14.33
    diglyme 18.36
    acrylic acid 8.62
    isopropyl myristate 0.5
    n-butyric acid 2.95
    acetyl acetate 3.35
    di(2-ethylhexyl) phthalate 1.3
    ethyl propionate 1.01
    nitromethane 43.59
    1,2-diethoxyethane 2.33
    benzonitrile 1.39
    trioctyl phosphate 0.83
    1-bromopropane 0.31
    gamma-valerolactone 35.97
    n-decanol 0.49
    triethyl phosphate 0.87
    4-methyl-2-pentanol 0.17
    propionitrile 0.71
    vinylene carbonate 8.14
    1,1,2-trichlorotrifluoroethane 30.05
    DMS 2.8
    cumene 0.14
    2-octanol 0.46
    2-hexanone 0.91
    octyl acetate 1.05
    limonene 0.24
    1,2-dimethoxyethane 9.15
    ethyl orthosilicate 0.76
    tributyl phosphate 0.66
    diacetone alcohol 3.03
    N,N-dimethylaniline 1.01
    acrylonitrile 2.28
    aniline 1.01
    1,3-propanediol 4.02
    bromobenzene 0.52
    dibromomethane 1.15
    1,1,2,2-tetrachloroethane 3.18
    2-methyl-cyclohexyl acetate 0.93
    tetrabutyl urea 1.26
    diisobutyl methanol 0.16
    2-phenylethanol 1.61
    styrene 0.25
    dioctyl adipate 1.42
    dimethyl sulfate 16.7
    ethyl butyrate 0.91
    methyl lactate 7.92
    butyl lactate 3.29
    diethyl carbonate 0.66
    propanediol butyl ether 7.89
    triethyl orthoformate 1.14
    p-tert-butyltoluene 0.2
    methyl 4-tert-butylbenzoate 4.35
    morpholine 8.31
    tert-butylamine 0.09
    n-dodecanol 0.27
    dimethoxymethane 16.42
    ethylene carbonate 4.42
    cyrene 12.24
    2-ethoxyethyl acetate 6.7
    2-ethylhexyl acetate 0.62
    1,2,4-trichlorobenzene 1.34
    4-methylpyridine 2.36
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.16
    DEF 4.26
    dimethyl isosorbide 10.63
    tetrachloroethylene 2.73
    eugenol 5.07
    triacetin 6.25
    span 80 5.3
    1,4-butanediol 1.85
    1,1-dichloroethane 0.66
    2-methyl-1-pentanol 0.29
    methyl formate 16.57
    2-methyl-1-butanol 0.32
    n-decane 0.04
    butyronitrile 0.5
    3,7-dimethyl-1-octanol 0.41
    1-chlorooctane 0.22
    1-chlorotetradecane 0.07
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.87
    tetrahydropyran 1.52
    tert-amyl methyl ether 0.4
    2,5,8-trioxanonane 11.44
    1-hexene 0.05
    2-isopropoxyethanol 3.34
    2,2,2-trifluoroethanol 13.08
    methyl butyrate 1.3

    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