Prupaside

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  • Identifiers

    CAS number
    126882-52-8

    Molecular formula
    C27H36O12

    SMILES
    COC1=CC(=CC(=C1O)OC)CC2COC(C2COC3C(C(C(CO3)O)O)O)C4=CC(=C(C(=C4)OC)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.93%
    Vanilla 53.01%
    Spicy 31.19%
    Sweet 30.61%
    Balsamic 27.56%
    Phenolic 26.53%
    Smoky 25.79%
    Creamy 25.46%
    Milky 24.98%
    Powdery 22.54%

     

    Flavor
    Bitter 66.63%
    Bland 33.8%
    Odorless 26.82%
    Sweet-like 26.66%
    Parsley 21.52%
    Eugenol 21.47%
    Cedarleaf 21.16%
    Lovage 19.69%
    Cauliflower 19.63%
    Carrot 19.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.66 (neutral)

    Molecular weight
    552.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2808°C

    Flash point

    • 222.65 ˚C est.

  • Synonyms

    • Prupaside
    • CHEBI:191447
    • DTXSID201101893
    • 126882-52-8
    • [(2S,3R,4R)-Tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-furanyl]methyl I(2)-D-xylopyranoside
    • 2-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]oxane-3,4,5-triol
    • 126882-52-8

  • Applications

    Prupaside (CAS 126882-52-8) is principally used as an intermediate in organic synthesis; it may serve as a solvent or co-solvent in formulation and manufacturing processes; it can function as a plasticizer or processing aid in polymers and plastics; it may act as a stabilizer or additive in coatings and inks; and it may be evaluated as an odorant or fragrance component for perfumery applications, subject to purity, regulatory limits, and specific formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.96
    methanol 5.82
    isopropanol 1.46
    water 0.33
    ethyl acetate 2.12
    n-propanol 2.27
    acetone 4.48
    n-butanol 1.91
    acetonitrile 1.41
    DMF 13.97
    toluene 0.62
    isobutanol 1.16
    1,4-dioxane 7.09
    methyl acetate 2.6
    THF 14.48
    2-butanone 3.59
    n-pentanol 1.37
    sec-butanol 1.42
    n-hexane 0.04
    ethylene glycol 3.67
    NMP 20.65
    cyclohexane 0.12
    DMSO 44.44
    n-butyl acetate 0.59
    n-octanol 1.43
    chloroform 3.76
    n-propyl acetate 0.78
    acetic acid 17.53
    dichloromethane 3.49
    cyclohexanone 6.92
    propylene glycol 3.28
    isopropyl acetate 1.3
    DMAc 23.86
    2-ethoxyethanol 7.78
    isopentanol 1.23
    n-heptane 0.1
    ethyl formate 2.52
    1,2-dichloroethane 2.11
    n-hexanol 0.87
    2-methoxyethanol 14.32
    isobutyl acetate 0.41
    tetrachloromethane 0.63
    n-pentyl acetate 1.84
    transcutol 11.77
    n-heptanol 1.68
    ethylbenzene 0.26
    MIBK 1.44
    2-propoxyethanol 5.86
    tert-butanol 1.36
    MTBE 0.85
    2-butoxyethanol 5.96
    propionic acid 4.32
    o-xylene 0.49
    formic acid 17.45
    diethyl ether 1.43
    m-xylene 0.4
    p-xylene 0.29
    chlorobenzene 0.61
    dimethyl carbonate 4.28
    n-octane 0.07
    formamide 15.21
    cyclopentanone 10.23
    2-pentanone 2.78
    anisole 0.87
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 11.72
    1-methoxy-2-propanol 8.47
    pyridine 3.72
    3-pentanone 2.33
    furfural 9.75
    n-dodecane 0.05
    diethylene glycol 7.6
    diisopropyl ether 0.28
    tert-amyl alcohol 1.41
    acetylacetone 5.22
    n-hexadecane 0.06
    acetophenone 1.47
    methyl propionate 3.32
    isopentyl acetate 0.6
    trichloroethylene 5.11
    n-nonanol 1.51
    cyclohexanol 1.92
    benzyl alcohol 1.79
    2-ethylhexanol 0.52
    isooctanol 1.15
    dipropyl ether 0.81
    1,2-dichlorobenzene 0.68
    ethyl lactate 1.82
    propylene carbonate 3.66
    n-methylformamide 8.18
    2-pentanol 0.97
    n-pentane 0.07
    1-propoxy-2-propanol 3.28
    1-methoxy-2-propyl acetate 2.21
    2-(2-methoxypropoxy) propanol 4.28
    mesitylene 0.21
    ε-caprolactone 6.02
    p-cymene 0.24
    epichlorohydrin 10.15
    1,1,1-trichloroethane 1.08
    2-aminoethanol 4.36
    morpholine-4-carbaldehyde 17.86
    sulfolane 25.16
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 3.81
    n-hexyl acetate 1.95
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.21
    sec-butyl acetate 0.52
    tert-butyl acetate 1.42
    decalin 0.06
    glycerin 10.14
    diglyme 10.64
    acrylic acid 7.08
    isopropyl myristate 0.64
    n-butyric acid 4.39
    acetyl acetate 2.46
    di(2-ethylhexyl) phthalate 1.09
    ethyl propionate 0.97
    nitromethane 19.32
    1,2-diethoxyethane 2.33
    benzonitrile 1.01
    trioctyl phosphate 0.93
    1-bromopropane 0.72
    gamma-valerolactone 21.13
    n-decanol 0.94
    triethyl phosphate 0.77
    4-methyl-2-pentanol 0.56
    propionitrile 1.19
    vinylene carbonate 4.06
    1,1,2-trichlorotrifluoroethane 18.89
    DMS 1.94
    cumene 0.18
    2-octanol 0.92
    2-hexanone 1.18
    octyl acetate 1.12
    limonene 0.38
    1,2-dimethoxyethane 7.18
    ethyl orthosilicate 0.75
    tributyl phosphate 0.77
    diacetone alcohol 4.24
    N,N-dimethylaniline 0.81
    acrylonitrile 2.18
    aniline 1.5
    1,3-propanediol 6.02
    bromobenzene 0.48
    dibromomethane 1.77
    1,1,2,2-tetrachloroethane 4.23
    2-methyl-cyclohexyl acetate 0.81
    tetrabutyl urea 1.36
    diisobutyl methanol 0.32
    2-phenylethanol 1.34
    styrene 0.25
    dioctyl adipate 1.31
    dimethyl sulfate 10.25
    ethyl butyrate 0.73
    methyl lactate 6.12
    butyl lactate 2.48
    diethyl carbonate 0.57
    propanediol butyl ether 5.65
    triethyl orthoformate 0.95
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 3.17
    morpholine 8.36
    tert-butylamine 0.46
    n-dodecanol 0.59
    dimethoxymethane 10.47
    ethylene carbonate 3.12
    cyrene 7.12
    2-ethoxyethyl acetate 3.85
    2-ethylhexyl acetate 0.47
    1,2,4-trichlorobenzene 1.09
    4-methylpyridine 2.23
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 0.32
    DEF 4.94
    dimethyl isosorbide 5.83
    tetrachloroethylene 3.25
    eugenol 3.1
    triacetin 3.64
    span 80 4.06
    1,4-butanediol 2.55
    1,1-dichloroethane 1.17
    2-methyl-1-pentanol 1.03
    methyl formate 7.22
    2-methyl-1-butanol 1.34
    n-decane 0.12
    butyronitrile 1.0
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.45
    1-chlorotetradecane 0.16
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.04
    cyclooctane 0.07
    cyclopentanol 2.67
    tetrahydropyran 3.25
    tert-amyl methyl ether 1.04
    2,5,8-trioxanonane 7.52
    1-hexene 0.15
    2-isopropoxyethanol 3.96
    2,2,2-trifluoroethanol 10.49
    methyl butyrate 1.28

    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