Panasenoside

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  • Identifiers

    CAS number
    31512-06-8

    Molecular formula
    C27H30O16

    SMILES
    C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.07%
    Vanilla 26.68%
    Phenolic 24.58%
    Sweet 23.78%
    Savory 21.28%
    Milky 20.26%
    Bitter 19.52%
    Burnt 17.95%
    Smoky 17.16%
    Creamy 16.74%

     

    Flavor
    Bitter 72.6%
    Odorless 37.88%
    Bland 33.2%
    Sweet-like 28.67%
    Very mild 21.27%
    Cedarleaf 20.13%
    Very slight 19.56%
    Eugenol 19.38%
    Parsley 19.33%
    Lovage 18.96%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.43 (neutral)

    Molecular weight
    610.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5823°C

    Flash point

    • 306.32 ˚C est.

  • Synonyms

    • Panasenoside
    • 31512-06-8
    • DTXSID201317852
    • RefChem:1094299
    • DTXCID501747650
    • 3-((2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Kaempferol 3-O-beta-D-glucosylgalactoside
    • 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 3-(((2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)Tetrahydro-2H-Pyran-2-Yl)Oxy)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4H-Chromen-4-One
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
    • CHEMBL500233
    • orb1684341
    • kaempferol-3-O-beta-sophoroside
    • SCHEMBL29507263
    • CHEBI:80528
    • HY-N4258
    • MSK185107
    • AKOS037515225
    • EBC-618530
    • 3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • MS-30698
    • CS-0032551
    • D84958
    • Q27149572
    • kaempferol 3-O-(2-O-beta-D-glucopyranosyl)-beta-D-galactopyranoside
    • 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 31512-06-8

  • Applications

    Panasenoside (CAS 31512-06-8) is primarily considered an ingredient for chemical synthesis as an intermediate, and it can function as a surfactant or emulsifier in formulations for cosmetics, personal care, and household cleaning products. It is also evaluated as a stabilizer or processing aid in polymers and plastics to improve blend stability and processing behavior, and may serve as a chelating agent in cleaning and coating formulations. In fragrance-related contexts, it may be explored as an odorant or carrier, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.03
    methanol 12.28
    isopropanol 2.18
    water 0.16
    ethyl acetate 0.29
    n-propanol 4.23
    acetone 1.92
    n-butanol 1.42
    acetonitrile 0.43
    DMF 25.37
    toluene 0.1
    isobutanol 0.95
    1,4-dioxane 6.23
    methyl acetate 1.0
    THF 11.28
    2-butanone 1.98
    n-pentanol 0.79
    sec-butanol 1.55
    n-hexane 0.01
    ethylene glycol 17.62
    NMP 28.87
    cyclohexane 0.02
    DMSO 55.47
    n-butyl acetate 0.16
    n-octanol 0.49
    chloroform 0.11
    n-propyl acetate 0.21
    acetic acid 15.27
    dichloromethane 0.2
    cyclohexanone 2.02
    propylene glycol 20.3
    isopropyl acetate 0.15
    DMAc 24.47
    2-ethoxyethanol 10.51
    isopentanol 0.44
    n-heptane 0.02
    ethyl formate 0.86
    1,2-dichloroethane 0.22
    n-hexanol 0.33
    2-methoxyethanol 31.79
    isobutyl acetate 0.07
    tetrachloromethane 0.02
    n-pentyl acetate 0.44
    transcutol 12.64
    n-heptanol 0.58
    ethylbenzene 0.03
    MIBK 0.18
    2-propoxyethanol 5.29
    tert-butanol 0.64
    MTBE 0.21
    2-butoxyethanol 4.02
    propionic acid 3.59
    o-xylene 0.06
    formic acid 29.57
    diethyl ether 0.45
    m-xylene 0.04
    p-xylene 0.03
    chlorobenzene 0.04
    dimethyl carbonate 1.09
    n-octane 0.01
    formamide 22.87
    cyclopentanone 5.0
    2-pentanone 0.66
    anisole 0.16
    cyclopentyl methyl ether 0.78
    gamma-butyrolactone 6.56
    1-methoxy-2-propanol 14.15
    pyridine 2.29
    3-pentanone 0.51
    furfural 5.13
    n-dodecane 0.01
    diethylene glycol 10.61
    diisopropyl ether 0.04
    tert-amyl alcohol 0.61
    acetylacetone 1.0
    n-hexadecane 0.01
    acetophenone 0.28
    methyl propionate 0.93
    isopentyl acetate 0.12
    trichloroethylene 0.31
    n-nonanol 0.5
    cyclohexanol 0.7
    benzyl alcohol 0.58
    2-ethylhexanol 0.12
    isooctanol 0.29
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.82
    propylene carbonate 1.01
    n-methylformamide 13.26
    2-pentanol 0.44
    n-pentane 0.02
    1-propoxy-2-propanol 2.57
    1-methoxy-2-propyl acetate 0.73
    2-(2-methoxypropoxy) propanol 2.79
    mesitylene 0.02
    ε-caprolactone 2.13
    p-cymene 0.03
    epichlorohydrin 4.35
    1,1,1-trichloroethane 0.03
    2-aminoethanol 16.72
    morpholine-4-carbaldehyde 25.77
    sulfolane 17.1
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 2.02
    n-hexyl acetate 0.47
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.09
    sec-butyl acetate 0.09
    tert-butyl acetate 0.15
    decalin 0.0
    glycerin 43.32
    diglyme 7.47
    acrylic acid 5.98
    isopropyl myristate 0.13
    n-butyric acid 1.47
    acetyl acetate 0.17
    di(2-ethylhexyl) phthalate 0.26
    ethyl propionate 0.17
    nitromethane 11.06
    1,2-diethoxyethane 0.99
    benzonitrile 0.17
    trioctyl phosphate 0.24
    1-bromopropane 0.09
    gamma-valerolactone 18.61
    n-decanol 0.32
    triethyl phosphate 0.12
    4-methyl-2-pentanol 0.11
    propionitrile 0.37
    vinylene carbonate 0.97
    1,1,2-trichlorotrifluoroethane 10.05
    DMS 0.46
    cumene 0.01
    2-octanol 0.28
    2-hexanone 0.36
    octyl acetate 0.32
    limonene 0.05
    1,2-dimethoxyethane 5.16
    ethyl orthosilicate 0.11
    tributyl phosphate 0.18
    diacetone alcohol 1.38
    N,N-dimethylaniline 0.13
    acrylonitrile 0.83
    aniline 0.44
    1,3-propanediol 13.01
    bromobenzene 0.02
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 0.32
    2-methyl-cyclohexyl acetate 0.13
    tetrabutyl urea 0.49
    diisobutyl methanol 0.06
    2-phenylethanol 0.29
    styrene 0.03
    dioctyl adipate 0.36
    dimethyl sulfate 2.73
    ethyl butyrate 0.16
    methyl lactate 4.27
    butyl lactate 1.11
    diethyl carbonate 0.1
    propanediol butyl ether 6.13
    triethyl orthoformate 0.24
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.69
    morpholine 13.27
    tert-butylamine 0.14
    n-dodecanol 0.19
    dimethoxymethane 7.85
    ethylene carbonate 0.64
    cyrene 4.76
    2-ethoxyethyl acetate 1.26
    2-ethylhexyl acetate 0.09
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.68
    dibutyl ether 0.21
    2,6-dimethyl-4-heptanol 0.06
    DEF 1.82
    dimethyl isosorbide 2.66
    tetrachloroethylene 0.23
    eugenol 1.01
    triacetin 1.01
    span 80 3.08
    1,4-butanediol 4.01
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.3
    methyl formate 7.38
    2-methyl-1-butanol 0.63
    n-decane 0.02
    butyronitrile 0.24
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 2.08
    tetrahydropyran 1.78
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 5.37
    1-hexene 0.03
    2-isopropoxyethanol 2.98
    2,2,2-trifluoroethanol 3.99
    methyl butyrate 0.3

    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