Sibirate

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  • Identifiers

    CAS number
    152338-47-1

    Molecular formula
    C16H22O9

    SMILES
    COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.67%
    Sweet 39.83%
    Vanilla 28.8%
    Milky 28.5%
    Savory 24.6%
    Creamy 23.25%
    Caramellic 22.94%
    Buttery 22.45%
    Balsamic 20.93%
    Dairy 20.08%

     

    Flavor
    Odorless 56.37%
    Bitter 39.37%
    Bland 34.32%
    Very mild 31.1%
    Sweet-like 27.82%
    Mild 24.76%
    Yeast 19.02%
    Very slight 18.96%
    Ethyl benzoate 18.43%
    Heather 18.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    7.88 (neutral)

    Molecular weight
    358.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1609°C

    Flash point

    • 276.53 ˚C est.

  • Synonyms

    • Sibirate
    • Glucityl ferulate
    • 152338-47-1
    • [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • D-Glucitol, 1-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (E)-
    • ((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • RefChem:182787
    • D-Glucitol, 1-((2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate)
    • 152338-47-1

  • Applications

    Sibirate (CAS 152338-47-1) is typically employed as an organic synthesis intermediate and as a processing additive in polymers and coatings. It may function as a chelating agent in metal formulations and as a stabilizer or compatibility aid in certain resin systems. It can also serve as a solvent or co-solvent in formulation work and cleaning formulations, with specific uses dependent on regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.98
    methanol 94.64
    isopropanol 16.57
    water 47.44
    ethyl acetate 4.52
    n-propanol 20.26
    acetone 37.63
    n-butanol 13.7
    acetonitrile 6.15
    DMF 194.4
    toluene 0.9
    isobutanol 5.13
    1,4-dioxane 32.75
    methyl acetate 5.16
    THF 73.1
    2-butanone 10.44
    n-pentanol 4.35
    sec-butanol 10.17
    n-hexane 0.17
    ethylene glycol 157.99
    NMP 82.02
    cyclohexane 0.72
    DMSO 1638.42
    n-butyl acetate 0.43
    n-octanol 2.54
    chloroform 0.42
    n-propyl acetate 0.87
    acetic acid 73.02
    dichloromethane 0.73
    cyclohexanone 11.54
    propylene glycol 91.56
    isopropyl acetate 2.0
    DMAc 161.76
    2-ethoxyethanol 73.09
    isopentanol 4.86
    n-heptane 0.49
    ethyl formate 5.04
    1,2-dichloroethane 1.65
    n-hexanol 2.21
    2-methoxyethanol 231.74
    isobutyl acetate 0.27
    tetrachloromethane 0.19
    n-pentyl acetate 1.02
    transcutol 38.79
    n-heptanol 2.81
    ethylbenzene 0.38
    MIBK 2.77
    2-propoxyethanol 18.96
    tert-butanol 12.91
    MTBE 2.47
    2-butoxyethanol 10.44
    propionic acid 13.13
    o-xylene 0.94
    formic acid 259.15
    diethyl ether 5.05
    m-xylene 0.6
    p-xylene 0.37
    chlorobenzene 0.24
    dimethyl carbonate 8.73
    n-octane 0.34
    formamide 315.15
    cyclopentanone 27.2
    2-pentanone 9.27
    anisole 1.47
    cyclopentyl methyl ether 8.66
    gamma-butyrolactone 26.18
    1-methoxy-2-propanol 95.26
    pyridine 6.97
    3-pentanone 5.5
    furfural 16.4
    n-dodecane 0.2
    diethylene glycol 54.88
    diisopropyl ether 0.76
    tert-amyl alcohol 8.11
    acetylacetone 15.73
    n-hexadecane 0.22
    acetophenone 2.17
    methyl propionate 8.0
    isopentyl acetate 0.37
    trichloroethylene 1.49
    n-nonanol 2.6
    cyclohexanol 9.79
    benzyl alcohol 3.75
    2-ethylhexanol 0.85
    isooctanol 1.67
    dipropyl ether 2.47
    1,2-dichlorobenzene 0.24
    ethyl lactate 4.18
    propylene carbonate 3.56
    n-methylformamide 81.93
    2-pentanol 5.71
    n-pentane 0.31
    1-propoxy-2-propanol 8.88
    1-methoxy-2-propyl acetate 2.55
    2-(2-methoxypropoxy) propanol 10.28
    mesitylene 0.39
    ε-caprolactone 7.55
    p-cymene 0.3
    epichlorohydrin 17.04
    1,1,1-trichloroethane 0.36
    2-aminoethanol 114.3
    morpholine-4-carbaldehyde 79.64
    sulfolane 93.37
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 12.28
    n-hexyl acetate 1.48
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 16.65
    sec-butyl acetate 0.5
    tert-butyl acetate 2.14
    decalin 0.14
    glycerin 211.54
    diglyme 29.44
    acrylic acid 19.5
    isopropyl myristate 0.75
    n-butyric acid 10.01
    acetyl acetate 2.37
    di(2-ethylhexyl) phthalate 1.13
    ethyl propionate 1.38
    nitromethane 104.5
    1,2-diethoxyethane 4.34
    benzonitrile 0.9
    trioctyl phosphate 1.07
    1-bromopropane 0.69
    gamma-valerolactone 52.43
    n-decanol 1.99
    triethyl phosphate 0.88
    4-methyl-2-pentanol 1.54
    propionitrile 2.54
    vinylene carbonate 3.38
    1,1,2-trichlorotrifluoroethane 31.36
    DMS 1.9
    cumene 0.25
    2-octanol 1.59
    2-hexanone 1.73
    octyl acetate 1.3
    limonene 0.6
    1,2-dimethoxyethane 36.36
    ethyl orthosilicate 0.89
    tributyl phosphate 0.85
    diacetone alcohol 14.01
    N,N-dimethylaniline 1.7
    acrylonitrile 4.4
    aniline 3.27
    1,3-propanediol 113.0
    bromobenzene 0.16
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 1.97
    2-methyl-cyclohexyl acetate 0.71
    tetrabutyl urea 2.3
    diisobutyl methanol 0.66
    2-phenylethanol 1.74
    styrene 0.36
    dioctyl adipate 1.51
    dimethyl sulfate 24.19
    ethyl butyrate 0.77
    methyl lactate 25.83
    butyl lactate 2.45
    diethyl carbonate 0.53
    propanediol butyl ether 12.86
    triethyl orthoformate 1.1
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 3.91
    morpholine 52.26
    tert-butylamine 2.99
    n-dodecanol 1.51
    dimethoxymethane 77.63
    ethylene carbonate 2.76
    cyrene 17.31
    2-ethoxyethyl acetate 2.53
    2-ethylhexyl acetate 0.27
    1,2,4-trichlorobenzene 0.42
    4-methylpyridine 3.09
    dibutyl ether 1.47
    2,6-dimethyl-4-heptanol 0.66
    DEF 18.61
    dimethyl isosorbide 10.76
    tetrachloroethylene 1.48
    eugenol 4.66
    triacetin 3.41
    span 80 7.93
    1,4-butanediol 31.23
    1,1-dichloroethane 0.52
    2-methyl-1-pentanol 1.95
    methyl formate 48.33
    2-methyl-1-butanol 4.84
    n-decane 0.38
    butyronitrile 2.33
    3,7-dimethyl-1-octanol 1.19
    1-chlorooctane 0.7
    1-chlorotetradecane 0.32
    n-nonane 0.37
    undecane 0.27
    tert-butylcyclohexane 0.08
    cyclooctane 0.34
    cyclopentanol 16.25
    tetrahydropyran 11.9
    tert-amyl methyl ether 2.89
    2,5,8-trioxanonane 25.98
    1-hexene 0.4
    2-isopropoxyethanol 18.28
    2,2,2-trifluoroethanol 31.94
    methyl butyrate 1.72

    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