Aquacoat

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  • Identifiers

    CAS number
    9004-57-3

    Molecular formula
    C20H38O11

    SMILES
    CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.43%
    Alcoholic 33.3%
    Fruity 24.74%
    Buttery 20.99%
    Sweet 19.78%
    Ethereal 19.51%
    Milky 19.36%
    Caramellic 17.63%
    Malty 17.19%
    Cooling 16.63%

     

    Flavor
    Sweet 53.04%
    Fatty 36.33%
    Bitter 35.79%
    Odorless 31.82%
    Sweet-like 27.66%
    Vegetable 23.91%
    Cauliflower 23.89%
    Oily 23.46%
    Very slight 22.32%
    Bouillon 21.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    4.16 (weak acid)

    Molecular weight
    454.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1042°C

    Melting point expt.

    • 151 °C

    Flash point

    • 158.31 ˚C est.

    Solubility expt.

    • 5.93e-07 mg/mL at 25 °C

  • Synonyms

    • 9004-57-3
    • MFCD00131037
    • 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
    • Aquacoat
    • Surelease
    • Ethyl celluloseEC
    • Ethyl cellulose viscosity 20cP
    • CHEBI:168398
    • DA-63306
    • SY068752
    • YE182562
    • Ethyl cellulose, viscosity 45-55 cP, 5 % in toluene/ethanol 80:20(lit.)
    • 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol
    • Ethyl cellulose, viscosity 18-22 cP, 5 % in toluene/ethanol 80:20(lit.), extent of labeling: 4% ethoxyl
    • Ethyl cellulose, viscosity 9-11 cP, 5 % in toluene/ethanol 80:20(lit.), extent of labeling 48% ethoxyl
    • Ethyl cellulose, viscosity 90-110 cP, 5 % in toluene/ethanol 80:20(lit.), extent of labeling 48% ethoxyl
    • 9004-57-3

  • Applications

    Aquacoat (CAS 9004-57-3) is an aqueous polymer dispersion primarily used as a film-forming binder and coating material in waterborne formulations. In pharmaceuticals, it typically serves as a film-coating polymer for tablets and capsules to provide protective barriers or controlled release. In coatings/inks, it functions as a film-forming binder for paints, coatings, and printed substrates. In adhesives, it can act as a binder component in water-based adhesives and sealants. In cosmetics and personal care, it may serve as a film-forming polymer in cosmetic emulsions and hair or skin care products. In household products, it can act as a binder or stabilizer in cleaners and polishes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.17
    methanol 129.77
    isopropanol 21.38
    water 91.92
    ethyl acetate 43.39
    n-propanol 38.01
    acetone 47.48
    n-butanol 26.46
    acetonitrile 25.84
    DMF 163.49
    toluene 8.53
    isobutanol 20.41
    1,4-dioxane 59.85
    methyl acetate 43.92
    THF 57.88
    2-butanone 32.51
    n-pentanol 18.47
    sec-butanol 20.61
    n-hexane 0.66
    ethylene glycol 103.32
    NMP 381.17
    cyclohexane 3.41
    DMSO 422.6
    n-butyl acetate 15.5
    n-octanol 8.7
    chloroform 67.68
    n-propyl acetate 16.74
    acetic acid 612.32
    dichloromethane 91.41
    cyclohexanone 84.72
    propylene glycol 59.12
    isopropyl acetate 21.65
    DMAc 234.46
    2-ethoxyethanol 83.65
    isopentanol 16.76
    n-heptane 1.15
    ethyl formate 54.06
    1,2-dichloroethane 56.27
    n-hexanol 13.17
    2-methoxyethanol 157.42
    isobutyl acetate 9.44
    tetrachloromethane 15.48
    n-pentyl acetate 16.68
    transcutol 125.73
    n-heptanol 12.11
    ethylbenzene 4.56
    MIBK 12.71
    2-propoxyethanol 54.8
    tert-butanol 17.11
    MTBE 7.79
    2-butoxyethanol 47.62
    propionic acid 136.47
    o-xylene 9.63
    formic acid 627.75
    diethyl ether 10.85
    m-xylene 6.48
    p-xylene 5.85
    chlorobenzene 16.54
    dimethyl carbonate 54.22
    n-octane 0.66
    formamide 459.46
    cyclopentanone 98.08
    2-pentanone 23.39
    anisole 10.21
    cyclopentyl methyl ether 27.84
    gamma-butyrolactone 197.56
    1-methoxy-2-propanol 75.15
    pyridine 55.99
    3-pentanone 25.75
    furfural 198.78
    n-dodecane 0.51
    diethylene glycol 98.19
    diisopropyl ether 3.24
    tert-amyl alcohol 19.95
    acetylacetone 62.74
    n-hexadecane 0.55
    acetophenone 26.78
    methyl propionate 49.79
    isopentyl acetate 12.85
    trichloroethylene 121.58
    n-nonanol 8.71
    cyclohexanol 40.15
    benzyl alcohol 30.19
    2-ethylhexanol 7.71
    isooctanol 8.92
    dipropyl ether 7.59
    1,2-dichlorobenzene 19.95
    ethyl lactate 32.67
    propylene carbonate 104.77
    n-methylformamide 148.48
    2-pentanol 13.02
    n-pentane 1.08
    1-propoxy-2-propanol 30.73
    1-methoxy-2-propyl acetate 34.77
    2-(2-methoxypropoxy) propanol 38.92
    mesitylene 4.39
    ε-caprolactone 113.94
    p-cymene 5.21
    epichlorohydrin 117.63
    1,1,1-trichloroethane 30.1
    2-aminoethanol 97.33
    morpholine-4-carbaldehyde 208.55
    sulfolane 387.97
    2,2,4-trimethylpentane 0.92
    2-methyltetrahydrofuran 36.78
    n-hexyl acetate 16.69
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 50.1
    sec-butyl acetate 11.13
    tert-butyl acetate 17.57
    decalin 1.48
    glycerin 155.75
    diglyme 89.97
    acrylic acid 205.51
    isopropyl myristate 6.03
    n-butyric acid 115.57
    acetyl acetate 65.19
    di(2-ethylhexyl) phthalate 15.75
    ethyl propionate 18.7
    nitromethane 400.16
    1,2-diethoxyethane 17.79
    benzonitrile 23.09
    trioctyl phosphate 11.17
    1-bromopropane 13.43
    gamma-valerolactone 212.4
    n-decanol 6.03
    triethyl phosphate 18.95
    4-methyl-2-pentanol 6.66
    propionitrile 17.0
    vinylene carbonate 114.58
    1,1,2-trichlorotrifluoroethane 278.83
    DMS 29.31
    cumene 3.91
    2-octanol 6.01
    2-hexanone 13.27
    octyl acetate 10.02
    limonene 7.91
    1,2-dimethoxyethane 54.96
    ethyl orthosilicate 14.66
    tributyl phosphate 11.7
    diacetone alcohol 38.56
    N,N-dimethylaniline 11.94
    acrylonitrile 37.32
    aniline 25.04
    1,3-propanediol 100.0
    bromobenzene 13.7
    dibromomethane 44.99
    1,1,2,2-tetrachloroethane 86.15
    2-methyl-cyclohexyl acetate 17.46
    tetrabutyl urea 18.21
    diisobutyl methanol 4.31
    2-phenylethanol 20.65
    styrene 5.21
    dioctyl adipate 16.9
    dimethyl sulfate 143.0
    ethyl butyrate 16.56
    methyl lactate 84.34
    butyl lactate 26.37
    diethyl carbonate 14.84
    propanediol butyl ether 44.95
    triethyl orthoformate 15.25
    p-tert-butyltoluene 4.91
    methyl 4-tert-butylbenzoate 35.2
    morpholine 76.54
    tert-butylamine 6.38
    n-dodecanol 4.34
    dimethoxymethane 65.01
    ethylene carbonate 88.71
    cyrene 86.84
    2-ethoxyethyl acetate 33.17
    2-ethylhexyl acetate 10.75
    1,2,4-trichlorobenzene 31.05
    4-methylpyridine 33.19
    dibutyl ether 4.79
    2,6-dimethyl-4-heptanol 4.31
    DEF 66.12
    dimethyl isosorbide 66.74
    tetrachloroethylene 76.16
    eugenol 34.65
    triacetin 42.97
    span 80 36.86
    1,4-butanediol 49.19
    1,1-dichloroethane 26.73
    2-methyl-1-pentanol 15.57
    methyl formate 130.64
    2-methyl-1-butanol 20.87
    n-decane 0.83
    butyronitrile 12.66
    3,7-dimethyl-1-octanol 6.93
    1-chlorooctane 3.61
    1-chlorotetradecane 1.59
    n-nonane 0.75
    undecane 0.63
    tert-butylcyclohexane 0.79
    cyclooctane 1.44
    cyclopentanol 47.92
    tetrahydropyran 29.93
    tert-amyl methyl ether 10.43
    2,5,8-trioxanonane 66.73
    1-hexene 2.09
    2-isopropoxyethanol 40.5
    2,2,2-trifluoroethanol 367.57
    methyl butyrate 25.4

    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