Npc141273

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  • Identifiers

    CAS number
    96038-87-8

    Molecular formula
    C34H46O18

    SMILES
    COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.26%
    Vanilla 41.8%
    Sweet 29.19%
    Milky 24.21%
    Creamy 21.61%
    Balsamic 18.52%
    Alcoholic 18.25%
    Spicy 17.89%
    Phenolic 17.56%
    Smoky 17.54%

     

    Flavor
    Bitter 66.29%
    Bland 33.1%
    Odorless 29.06%
    Sweet-like 28.83%
    Fatty 24.69%
    Cedarleaf 20.76%
    Parsley 20.25%
    Cauliflower 19.89%
    Eugenol 19.82%
    Naphthalic 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    7.61 (neutral)

    Molecular weight
    742.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5839°C

    Flash point

    • 260.84 ˚C est.

  • Synonyms

    • RefChem:1092702
    • Npc141273
    • 96038-87-8
    • Syringaresinol diglucoside
    • (2R,2'R,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-(((tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene))bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol)
    • (2S,3R,4S,5S,6R)-2-[4-[6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • C34H46O18
    • Syringaresinol Di-O-glucoside
    • SCHEMBL28062670
    • FFDULTAFAQRACT-DVWYHDMESA-N
    • AKOS037515052
    • FS69719
    • Q15426230
    • .beta.-D-Glucopyranoside, (tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene) bis-
    • beta-D-Glucopyranoside, (tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene)bis-
    • 96038-87-8

  • Applications

    Npc141273 (CAS 96038-87-8) is typically used as an intermediate, solvent, or processing aid in various industrial formulations. In practice, it may serve in polymer and plastics processing as an additive or processing solvent; in coatings and inks as a diluent or carrier; in adhesives as a solvent or coupling aid; in industrial cleaning formulations as a solvent or degreasing agent; and in general industrial manufacturing as an intermediate for further chemical synthesis. Its use is subject to regulatory constraints and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.64
    methanol 3.03
    isopropanol 0.49
    water 0.3
    ethyl acetate 2.03
    n-propanol 0.73
    acetone 2.69
    n-butanol 0.53
    acetonitrile 1.22
    DMF 16.04
    toluene 0.52
    isobutanol 0.37
    1,4-dioxane 4.38
    methyl acetate 2.58
    THF 8.76
    2-butanone 2.22
    n-pentanol 0.4
    sec-butanol 0.44
    n-hexane 0.02
    ethylene glycol 1.99
    NMP 26.99
    cyclohexane 0.06
    DMSO 15.82
    n-butyl acetate 0.65
    n-octanol 0.75
    chloroform 4.42
    n-propyl acetate 0.83
    acetic acid 12.51
    dichloromethane 3.72
    cyclohexanone 3.82
    propylene glycol 1.54
    isopropyl acetate 1.17
    DMAc 21.18
    2-ethoxyethanol 3.57
    isopentanol 0.33
    n-heptane 0.06
    ethyl formate 2.15
    1,2-dichloroethane 1.75
    n-hexanol 0.3
    2-methoxyethanol 7.06
    isobutyl acetate 0.36
    tetrachloromethane 0.62
    n-pentyl acetate 1.57
    transcutol 8.24
    n-heptanol 0.69
    ethylbenzene 0.18
    MIBK 0.74
    2-propoxyethanol 3.22
    tert-butanol 0.49
    MTBE 0.47
    2-butoxyethanol 3.59
    propionic acid 3.03
    o-xylene 0.38
    formic acid 13.71
    diethyl ether 0.71
    m-xylene 0.3
    p-xylene 0.23
    chlorobenzene 0.71
    dimethyl carbonate 5.53
    n-octane 0.04
    formamide 12.07
    cyclopentanone 8.15
    2-pentanone 1.58
    anisole 0.74
    cyclopentyl methyl ether 2.09
    gamma-butyrolactone 13.38
    1-methoxy-2-propanol 4.36
    pyridine 3.33
    3-pentanone 1.57
    furfural 12.1
    n-dodecane 0.04
    diethylene glycol 4.23
    diisopropyl ether 0.16
    tert-amyl alcohol 0.46
    acetylacetone 4.74
    n-hexadecane 0.04
    acetophenone 1.39
    methyl propionate 3.22
    isopentyl acetate 0.53
    trichloroethylene 5.85
    n-nonanol 0.81
    cyclohexanol 0.65
    benzyl alcohol 1.1
    2-ethylhexanol 0.24
    isooctanol 0.47
    dipropyl ether 0.57
    1,2-dichlorobenzene 0.85
    ethyl lactate 1.62
    propylene carbonate 5.08
    n-methylformamide 7.73
    2-pentanol 0.31
    n-pentane 0.03
    1-propoxy-2-propanol 2.11
    1-methoxy-2-propyl acetate 2.28
    2-(2-methoxypropoxy) propanol 2.85
    mesitylene 0.17
    ε-caprolactone 4.54
    p-cymene 0.18
    epichlorohydrin 8.61
    1,1,1-trichloroethane 1.26
    2-aminoethanol 1.92
    morpholine-4-carbaldehyde 18.91
    sulfolane 23.77
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.36
    n-hexyl acetate 1.51
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.03
    sec-butyl acetate 0.49
    tert-butyl acetate 1.02
    decalin 0.03
    glycerin 5.51
    diglyme 7.83
    acrylic acid 6.23
    isopropyl myristate 0.46
    n-butyric acid 2.79
    acetyl acetate 3.02
    di(2-ethylhexyl) phthalate 0.71
    ethyl propionate 0.99
    nitromethane 21.49
    1,2-diethoxyethane 1.59
    benzonitrile 0.96
    trioctyl phosphate 0.62
    1-bromopropane 0.48
    gamma-valerolactone 17.65
    n-decanol 0.5
    triethyl phosphate 0.72
    4-methyl-2-pentanol 0.19
    propionitrile 0.83
    vinylene carbonate 5.74
    1,1,2-trichlorotrifluoroethane 18.68
    DMS 2.26
    cumene 0.11
    2-octanol 0.45
    2-hexanone 0.79
    octyl acetate 0.87
    limonene 0.25
    1,2-dimethoxyethane 3.96
    ethyl orthosilicate 0.64
    tributyl phosphate 0.58
    diacetone alcohol 2.29
    N,N-dimethylaniline 0.63
    acrylonitrile 1.98
    aniline 1.07
    1,3-propanediol 2.16
    bromobenzene 0.62
    dibromomethane 1.56
    1,1,2,2-tetrachloroethane 4.39
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 1.01
    diisobutyl methanol 0.16
    2-phenylethanol 0.84
    styrene 0.21
    dioctyl adipate 0.95
    dimethyl sulfate 12.89
    ethyl butyrate 0.76
    methyl lactate 5.69
    butyl lactate 2.17
    diethyl carbonate 0.64
    propanediol butyl ether 3.72
    triethyl orthoformate 0.9
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 2.4
    morpholine 4.99
    tert-butylamine 0.18
    n-dodecanol 0.31
    dimethoxymethane 7.84
    ethylene carbonate 3.84
    cyrene 5.15
    2-ethoxyethyl acetate 3.41
    2-ethylhexyl acetate 0.43
    1,2,4-trichlorobenzene 1.29
    4-methylpyridine 2.11
    dibutyl ether 0.5
    2,6-dimethyl-4-heptanol 0.16
    DEF 3.67
    dimethyl isosorbide 5.01
    tetrachloroethylene 3.08
    eugenol 2.3
    triacetin 3.37
    span 80 2.9
    1,4-butanediol 0.95
    1,1-dichloroethane 1.15
    2-methyl-1-pentanol 0.27
    methyl formate 8.05
    2-methyl-1-butanol 0.36
    n-decane 0.07
    butyronitrile 0.59
    3,7-dimethyl-1-octanol 0.38
    1-chlorooctane 0.29
    1-chlorotetradecane 0.1
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 1.23
    tetrahydropyran 1.68
    tert-amyl methyl ether 0.55
    2,5,8-trioxanonane 5.29
    1-hexene 0.07
    2-isopropoxyethanol 1.79
    2,2,2-trifluoroethanol 10.09
    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