Cellulose, acetate propanoate

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  • Identifiers

    CAS number
    9004-39-1

    Molecular formula
    C76H114O49

    SMILES
    CCC(=O)OCC1C(C(C(C(O1)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC2C(C(C(C(O2)COC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC.CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 56.31%
    Odorless 39.08%
    Winey 36.23%
    Buttery 34.56%
    Fatty 34.41%
    Oily 32.49%
    Caramellic 28.27%
    Creamy 25.95%
    Ethereal 25.39%
    Sour 23.2%

     

    Flavor
    Bitter 60.21%
    Fruity 48.01%
    Mild 30.13%
    Fatty 29.72%
    Odorless 27.75%
    Waxy 24.9%
    Wine 24.04%
    Sweet-like 23.69%
    Bland 22.92%
    Grape 22.42%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.62 (strong acid)

    Molecular weight
    1811.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    416°C

    Flash point

    • 154.62 ˚C est.

  • Synonyms

    • Cellulose acetate propionate
    • Cellulose, acetate propanoate
    • 9004-39-1
    • RefChem:124310
    • DTXSID901009763
    • 618-383-3
    • SCHEMBL5189368
    • NS00013437
    • 9004-39-1

  • Applications

    Cellulose, acetate propanoate (CAS 9004-39-1) is a cellulose ester that acts as a film-forming polymer in coatings and printing inks. In industrial manufacturing it serves as a binder in wood and metal coatings, providing good gloss, adhesion, and weather resistance. It also serves as a binder in adhesives and decorative laminates, delivering durable films in composite systems. In cosmetics and personal care, CAP can function as a film-forming agent to improve gloss and wear resistance in products such as nail coatings and styling formulations, subject to regulatory and formulation limits. Additionally, CAP is used as a specialty resin in certain plastics and laminates, contributing to clear, solvent-borne film-forming matrices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.87
    methanol 174.96
    isopropanol 77.15
    water 7.79
    ethyl acetate 587.14
    n-propanol 92.8
    acetone 530.08
    n-butanol 65.53
    acetonitrile 330.72
    DMF 1599.45
    toluene 114.77
    isobutanol 63.73
    1,4-dioxane 458.84
    methyl acetate 756.91
    THF 645.67
    2-butanone 475.21
    n-pentanol 56.29
    sec-butanol 95.29
    n-hexane 6.34
    ethylene glycol 57.83
    NMP 3690.19
    cyclohexane 8.75
    DMSO 1422.75
    n-butyl acetate 175.72
    n-octanol 30.29
    chloroform 786.52
    n-propyl acetate 250.8
    acetic acid 1152.23
    dichloromethane 964.81
    cyclohexanone 622.19
    propylene glycol 82.19
    isopropyl acetate 276.29
    DMAc 2876.85
    2-ethoxyethanol 309.7
    isopentanol 51.01
    n-heptane 3.96
    ethyl formate 380.81
    1,2-dichloroethane 510.71
    n-hexanol 29.4
    2-methoxyethanol 498.11
    isobutyl acetate 98.64
    tetrachloromethane 133.87
    n-pentyl acetate 154.86
    transcutol 578.1
    n-heptanol 27.52
    ethylbenzene 48.51
    MIBK 109.98
    2-propoxyethanol 211.98
    tert-butanol 82.43
    MTBE 130.37
    2-butoxyethanol 171.35
    propionic acid 535.64
    o-xylene 95.44
    formic acid 598.43
    diethyl ether 134.75
    m-xylene 54.8
    p-xylene 70.29
    chlorobenzene 212.86
    dimethyl carbonate 733.63
    n-octane 2.45
    formamide 911.22
    cyclopentanone 977.21
    2-pentanone 288.7
    anisole 152.48
    cyclopentyl methyl ether 263.91
    gamma-butyrolactone 1915.59
    1-methoxy-2-propanol 330.9
    pyridine 543.16
    3-pentanone 351.82
    furfural 1562.25
    n-dodecane 2.05
    diethylene glycol 183.3
    diisopropyl ether 32.42
    tert-amyl alcohol 109.99
    acetylacetone 681.55
    n-hexadecane 2.37
    acetophenone 293.21
    methyl propionate 671.07
    isopentyl acetate 121.76
    trichloroethylene 1464.49
    n-nonanol 31.4
    cyclohexanol 100.28
    benzyl alcohol 136.26
    2-ethylhexanol 24.11
    isooctanol 21.7
    dipropyl ether 65.13
    1,2-dichlorobenzene 275.95
    ethyl lactate 198.29
    propylene carbonate 1007.57
    n-methylformamide 858.57
    2-pentanol 50.65
    n-pentane 5.37
    1-propoxy-2-propanol 148.2
    1-methoxy-2-propyl acetate 315.18
    2-(2-methoxypropoxy) propanol 201.34
    mesitylene 26.42
    ε-caprolactone 869.54
    p-cymene 23.24
    epichlorohydrin 1181.54
    1,1,1-trichloroethane 522.07
    2-aminoethanol 100.56
    morpholine-4-carbaldehyde 1903.1
    sulfolane 2531.78
    2,2,4-trimethylpentane 5.14
    2-methyltetrahydrofuran 450.83
    n-hexyl acetate 157.33
    isooctane 1.5
    2-(2-butoxyethoxy)ethanol 209.73
    sec-butyl acetate 158.04
    tert-butyl acetate 201.94
    decalin 6.75
    glycerin 209.79
    diglyme 615.44
    acrylic acid 703.61
    isopropyl myristate 44.38
    n-butyric acid 453.28
    acetyl acetate 730.86
    di(2-ethylhexyl) phthalate 74.97
    ethyl propionate 298.07
    nitromethane 2843.41
    1,2-diethoxyethane 189.22
    benzonitrile 163.47
    trioctyl phosphate 43.03
    1-bromopropane 153.95
    gamma-valerolactone 1854.76
    n-decanol 20.74
    triethyl phosphate 138.75
    4-methyl-2-pentanol 22.69
    propionitrile 182.87
    vinylene carbonate 1061.92
    1,1,2-trichlorotrifluoroethane 1357.08
    DMS 391.38
    cumene 27.8
    2-octanol 20.61
    2-hexanone 174.08
    octyl acetate 76.74
    limonene 37.25
    1,2-dimethoxyethane 509.51
    ethyl orthosilicate 104.63
    tributyl phosphate 70.18
    diacetone alcohol 221.69
    N,N-dimethylaniline 122.21
    acrylonitrile 350.76
    aniline 184.94
    1,3-propanediol 143.7
    bromobenzene 224.51
    dibromomethane 408.55
    1,1,2,2-tetrachloroethane 925.75
    2-methyl-cyclohexyl acetate 116.16
    tetrabutyl urea 103.6
    diisobutyl methanol 12.88
    2-phenylethanol 74.51
    styrene 67.23
    dioctyl adipate 111.3
    dimethyl sulfate 1677.17
    ethyl butyrate 181.42
    methyl lactate 492.96
    butyl lactate 139.45
    diethyl carbonate 159.02
    propanediol butyl ether 121.23
    triethyl orthoformate 134.81
    p-tert-butyltoluene 21.08
    methyl 4-tert-butylbenzoate 244.01
    morpholine 550.51
    tert-butylamine 34.44
    n-dodecanol 14.32
    dimethoxymethane 638.1
    ethylene carbonate 731.17
    cyrene 347.91
    2-ethoxyethyl acetate 373.38
    2-ethylhexyl acetate 104.14
    1,2,4-trichlorobenzene 451.02
    4-methylpyridine 514.55
    dibutyl ether 49.83
    2,6-dimethyl-4-heptanol 12.88
    DEF 710.95
    dimethyl isosorbide 357.68
    tetrachloroethylene 578.95
    eugenol 162.19
    triacetin 451.53
    span 80 128.99
    1,4-butanediol 70.71
    1,1-dichloroethane 426.62
    2-methyl-1-pentanol 53.07
    methyl formate 799.51
    2-methyl-1-butanol 69.85
    n-decane 3.95
    butyronitrile 113.94
    3,7-dimethyl-1-octanol 25.09
    1-chlorooctane 22.49
    1-chlorotetradecane 8.24
    n-nonane 3.46
    undecane 2.7
    tert-butylcyclohexane 4.49
    cyclooctane 3.27
    cyclopentanol 163.58
    tetrahydropyran 245.19
    tert-amyl methyl ether 138.58
    2,5,8-trioxanonane 363.27
    1-hexene 24.86
    2-isopropoxyethanol 184.98
    2,2,2-trifluoroethanol 895.9
    methyl butyrate 367.79

    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