Pentaerythritol tetraacetate

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  • Identifiers

    CAS number
    597-71-7

    Molecular formula
    C13H20O8

    SMILES
    CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 66.47%
    Ethereal 36.5%
    Fresh 33.89%
    Odorless 33.38%
    Winey 29.71%
    Apple 26.53%
    Sweet 26.42%
    Grape 24.73%
    Tropical 23.92%
    Floral 22.5%

     

    Flavor
    Fruity 75.75%
    Bitter 63.91%
    Green 39.26%
    Mild 37.4%
    Sweet 37.36%
    Tropical 34.99%
    Apple 32.37%
    Fruit 28.4%
    Wine 26.28%
    Floral 26.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    6.43 (neutral)

    Molecular weight
    304.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 183.31 ˚C est.

  • Synonyms

    • Pentaerythritol tetraacetate
    • 597-71-7
    • Normosterol
    • Normo-level
    • Pentaerythrityl Tetraacetate
    • Tetraacetyl pentestriol
    • Tetraacetil pentoetriol
    • NSC 1841
    • Pentaerythritol, tetraacetate
    • Tetraacetil pentoetriol [Romanian]
    • EINECS 209-907-8
    • BRN 1804615
    • C4YXI01Z81
    • T.A.P.E.
    • NSC-1841
    • DTXSID10871783
    • 4-02-00-00264 (Beilstein Handbook Reference)
    • 1,3-Propanediol, 2,2-bis((acetyloxy)methyl)-, diacetate
    • 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, diacetate
    • PENTAERYTHRITOL TETRAACETATE [MI]
    • 1,3-Propanediol, 2,2-bis((acetyloxy)methyl)-, 1,3-diacetate
    • 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, 1,3-diacetate
    • Normolevel
    • RefChem:859746
    • TetraOacetylpentaerythritol
    • DTXCID10819408
    • PENTAERYTHRITYL TETRAACETATE [INCI]
    • 2,2Bis((acetyloxy)methyl)1,3propanediol diacetate
    • 1,3Propanediol, 2,2bis((acetyloxy)methyl), diacetate
    • 1,3Propanediol, 2,2bis((acetyloxy)methyl), 1,3diacetate
    • 209-907-8
    • TAPE
    • [3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate
    • MFCD00026206
    • 2,2-Bis(acetoxymethyl)propane-1,3-diyl diacetate
    • Pentaerythrityl tetracetate
    • 3-(Acetyloxy)-2,2-bis[(acetyloxy)methyl]propyl acetate
    • [3-acetoxy-2,2-bis(acetoxymethyl)propyl] acetate
    • T. A. P. E.
    • PAG [Romanian]
    • UNII-C4YXI01Z81
    • Pentaerythrit-tetraacetat
    • CBDivE_003151
    • SCHEMBL309351
    • OUHCZCFQVONTOC-UHFFFAOYSA-
    • NSC1841
    • AKOS004906770
    • AS-81683
    • SY057742
    • 1, 2,2-bis[(acetyloxy)methyl]-, diacetate
    • CS-0326896
    • NS00042810
    • P0757
    • D92009
    • 2,2-Bis(acetoxymethyl)propane-1,3-diyldiacetate
    • 2,2-Bis[(acetyloxy)methyl]propane-1,3-diyl diacetate
    • Q27275193
    • 3-(Acetyloxy)-2,2-bis[(acetyloxy)methyl]propyl acetate #
    • InChI=1/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3
    • 597-71-7

  • Applications

    Pentaerythritol tetraacetate (CAS 597-71-7) is primarily used as a protected polyol building block in organic synthesis. It acts as an intermediate to introduce the pentaerythritol core into resin and coating systems (notably alkyds and polyesters) via controlled deacetylation to pentaerythritol followed by polycondensation or functionalization, and it can be converted into multi-functional monomers or crosslinking derivatives for UV-curable coatings and inks after appropriate hydrolysis or derivatization. When deprotected, the resulting pentaerythritol serves as a versatile polyol for polyurethane, epoxy, and polyester networks used in coatings and adhesives. In industrial manufacturing, it is also employed as a precursor for specialty esters and as a processing aid in resin synthesis. Overall, its role is to provide a protected, multi-functional building block enabling the synthesis of high-functionality monomers and resins across coatings, adhesives, and polymer production, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.8
    methanol 225.34
    isopropanol 83.24
    water 75.36
    ethyl acetate 229.73
    n-propanol 67.76
    acetone 536.59
    n-butanol 42.15
    acetonitrile 259.89
    DMF 1992.0
    toluene 40.39
    isobutanol 56.96
    1,4-dioxane 181.03
    methyl acetate 347.71
    THF 408.8
    2-butanone 261.88
    n-pentanol 35.7
    sec-butanol 61.39
    n-hexane 6.05
    ethylene glycol 78.94
    NMP 2087.97
    cyclohexane 3.69
    DMSO 1565.13
    n-butyl acetate 71.96
    n-octanol 30.49
    chloroform 423.3
    n-propyl acetate 148.59
    acetic acid 378.21
    dichloromethane 462.09
    cyclohexanone 284.66
    propylene glycol 98.12
    isopropyl acetate 134.79
    DMAc 2403.78
    2-ethoxyethanol 193.93
    isopentanol 39.53
    n-heptane 2.92
    ethyl formate 256.3
    1,2-dichloroethane 260.31
    n-hexanol 17.81
    2-methoxyethanol 331.34
    isobutyl acetate 85.78
    tetrachloromethane 46.88
    n-pentyl acetate 51.88
    transcutol 272.73
    n-heptanol 16.27
    ethylbenzene 35.69
    MIBK 106.98
    2-propoxyethanol 127.61
    tert-butanol 127.33
    MTBE 96.56
    2-butoxyethanol 70.81
    propionic acid 255.62
    o-xylene 55.42
    formic acid 471.27
    diethyl ether 67.98
    m-xylene 39.4
    p-xylene 60.4
    chlorobenzene 70.16
    dimethyl carbonate 383.5
    n-octane 2.71
    formamide 750.65
    cyclopentanone 567.91
    2-pentanone 170.59
    anisole 120.8
    cyclopentyl methyl ether 135.31
    gamma-butyrolactone 1112.62
    1-methoxy-2-propanol 255.56
    pyridine 180.37
    3-pentanone 179.36
    furfural 777.97
    n-dodecane 3.32
    diethylene glycol 138.79
    diisopropyl ether 23.87
    tert-amyl alcohol 100.72
    acetylacetone 405.33
    n-hexadecane 3.59
    acetophenone 213.42
    methyl propionate 345.27
    isopentyl acetate 66.49
    trichloroethylene 571.15
    n-nonanol 28.91
    cyclohexanol 50.96
    benzyl alcohol 99.12
    2-ethylhexanol 16.67
    isooctanol 16.33
    dipropyl ether 42.65
    1,2-dichlorobenzene 110.02
    ethyl lactate 154.07
    propylene carbonate 515.58
    n-methylformamide 789.7
    2-pentanol 33.39
    n-pentane 3.88
    1-propoxy-2-propanol 96.49
    1-methoxy-2-propyl acetate 153.15
    2-(2-methoxypropoxy) propanol 156.35
    mesitylene 27.64
    ε-caprolactone 328.28
    p-cymene 21.1
    epichlorohydrin 603.02
    1,1,1-trichloroethane 251.78
    2-aminoethanol 101.7
    morpholine-4-carbaldehyde 1026.35
    sulfolane 1387.2
    2,2,4-trimethylpentane 4.45
    2-methyltetrahydrofuran 192.35
    n-hexyl acetate 81.11
    isooctane 2.49
    2-(2-butoxyethoxy)ethanol 120.32
    sec-butyl acetate 94.21
    tert-butyl acetate 140.4
    decalin 6.1
    glycerin 224.58
    diglyme 271.11
    acrylic acid 305.41
    isopropyl myristate 36.02
    n-butyric acid 180.14
    acetyl acetate 229.04
    di(2-ethylhexyl) phthalate 49.75
    ethyl propionate 196.94
    nitromethane 1526.64
    1,2-diethoxyethane 80.51
    benzonitrile 115.79
    trioctyl phosphate 31.72
    1-bromopropane 82.72
    gamma-valerolactone 888.02
    n-decanol 21.96
    triethyl phosphate 92.48
    4-methyl-2-pentanol 25.21
    propionitrile 147.17
    vinylene carbonate 493.23
    1,1,2-trichlorotrifluoroethane 613.3
    DMS 211.11
    cumene 31.5
    2-octanol 16.27
    2-hexanone 119.33
    octyl acetate 44.91
    limonene 24.94
    1,2-dimethoxyethane 388.35
    ethyl orthosilicate 69.15
    tributyl phosphate 51.99
    diacetone alcohol 201.03
    N,N-dimethylaniline 141.43
    acrylonitrile 260.49
    aniline 77.62
    1,3-propanediol 102.12
    bromobenzene 68.63
    dibromomethane 229.6
    1,1,2,2-tetrachloroethane 450.29
    2-methyl-cyclohexyl acetate 77.8
    tetrabutyl urea 88.63
    diisobutyl methanol 17.92
    2-phenylethanol 47.7
    styrene 40.65
    dioctyl adipate 73.68
    dimethyl sulfate 1106.88
    ethyl butyrate 99.59
    methyl lactate 305.66
    butyl lactate 77.24
    diethyl carbonate 97.12
    propanediol butyl ether 93.54
    triethyl orthoformate 82.24
    p-tert-butyltoluene 22.7
    methyl 4-tert-butylbenzoate 163.12
    morpholine 240.03
    tert-butylamine 59.54
    n-dodecanol 17.18
    dimethoxymethane 534.69
    ethylene carbonate 341.24
    cyrene 260.11
    2-ethoxyethyl acetate 100.4
    2-ethylhexyl acetate 52.8
    1,2,4-trichlorobenzene 155.49
    4-methylpyridine 239.67
    dibutyl ether 39.95
    2,6-dimethyl-4-heptanol 17.92
    DEF 371.55
    dimethyl isosorbide 282.53
    tetrachloroethylene 235.66
    eugenol 119.3
    triacetin 218.33
    span 80 83.23
    1,4-butanediol 54.94
    1,1-dichloroethane 227.93
    2-methyl-1-pentanol 32.92
    methyl formate 730.63
    2-methyl-1-butanol 42.46
    n-decane 5.28
    butyronitrile 89.62
    3,7-dimethyl-1-octanol 30.22
    1-chlorooctane 20.22
    1-chlorotetradecane 9.71
    n-nonane 4.7
    undecane 4.13
    tert-butylcyclohexane 6.25
    cyclooctane 2.15
    cyclopentanol 87.51
    tetrahydropyran 95.73
    tert-amyl methyl ether 92.12
    2,5,8-trioxanonane 210.08
    1-hexene 19.03
    2-isopropoxyethanol 123.79
    2,2,2-trifluoroethanol 417.33
    methyl butyrate 241.24

    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