Pentaerythrityl Tetrabenzoate

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  • Identifiers

    CAS number
    4196-86-5

    Molecular formula
    C33H28O8

    SMILES
    C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 68.92%
    Herbal 55.55%
    Green 54.43%
    Fruity 37.16%
    Oily 32.23%
    Sweet 31.6%
    Floral 31.02%
    Odorless 28.58%
    Metallic 26.07%
    Spicy 25.76%

     

    Flavor
    Bitter 49.48%
    Balsam 45.0%
    Fruity 30.7%
    Herbal 27.8%
    Faint 27.65%
    Apricot 26.33%
    Strawberry 26.04%
    Oily 25.66%
    Sweet 25.11%
    Peach 24.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    3.59 (weak acid)

    Molecular weight
    552.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    729°C

    Melting point expt.

    • 207 to 212 °F (NTP, 1992)

    Flash point

    • 275.13 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)

  • Synonyms

    • Pentaerythritol tetrabenzoate
    • Pentaerythrityl Tetrabenzoate
    • Uniplex 552
    • CCRIS 5971
    • EINECS 224-079-8
    • U7L44GIS4O
    • 2,2-Bis((benzoyloxy)methyl)-1,3-propanediol dibenzoate
    • Pentaerythritol, tetrabenzoate
    • NSC 166502
    • BRN 3513249
    • DTXSID8024608
    • 1,3-Propanediol, 2,2-bis((benzoyloxy)methyl)-, dibenzoate
    • 2,2-Bis((benzoyloxy)methyl)dibenzoate propanediol
    • NSC-166502
    • DTXCID804608
    • 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, dibenzoate
    • 1,3-Propanediol, 2,2-bis((benzoyloxy)methyl)-, 1,3-dibenzoate
    • 2,2-BIS[(BENZOYLOXY)METHYL]-1,3-PROPANEDIOL DIBENZOATE
    • BIS((BENZOYLOXY)METHYL)-1,3-PROPANEDIOL DIBENZOATE, 2,2-
    • 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, 1,3-dibenzoate
    • RefChem:859774
    • BENZOFLEX S 552
    • PENTAERYTHRITYL TETRABENZOATE [INCI]
    • 1,3-Propanediol, 2,2-bis(benzoyloxy)methyl-, dibenzoate
    • 2,2-BIS((BENZOYLOXY)METHYL)DIBENZOATE-1,3-PROPANEDIOL
    • 224-079-8
    • 4196-86-5
    • [3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate
    • Benzoflex S-552
    • 2,2-bis((benzoyloxy)methyl)propane-1,3-diyl dibenzoate
    • 3-(Benzoyloxy)-2,2-bis[(benzoyloxy)methyl]propyl benzoate
    • Benzoic acid, tetraester with pentaerythritol
    • MFCD00020676
    • 3-[(phenylcarbonyl)oxy]-2,2-bis{[(phenylcarbonyl)oxy]methyl}propyl benzoate
    • UNII-U7L44GIS4O
    • 2,2-Bis[(benzoyloxy)methyl]propane-1,3-diyl dibenzoate
    • SCHEMBL27620
    • Propanediol (2,2-bis (benzoyloxy)methyl)-dibenzoate
    • CHEMBL1533629
    • MINJAOUGXYRTEI-UHFFFAOYSA-
    • Pentaerythritol tetrabenzoate, 96%
    • Tox21_200988
    • BBL000680
    • NSC166502
    • STK366686
    • AKOS001606906
    • NCGC00091832-01
    • NCGC00091832-02
    • NCGC00258541-01
    • ST009469
    • VS-00665
    • CAS-4196-86-5
    • CS-0156545
    • NS00021149
    • P1230
    • 1, 2,2-bis[(benzoyloxy)methyl]-, dibenzoate
    • SR-01000408140
    • SR-01000408140-1
    • Q27290795
    • [3-(benzoyloxy)-2,2-bis(benzoyloxymethyl)propyl] benzoate
    • 3-(Benzoyloxy)-2,2-bis[(benzoyloxy)methyl]propyl benzoate #
    • 2,2-bis(phenylcarbonyloxymethyl)-3-phenylcarbonyloxypropyl benzoate
    • InChI=1/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2
    • 4196-86-5

  • Applications

    Pentaerythrityl Tetrabenzoate (CAS 4196-86-5) is a high-molecular-weight benzoate ester used primarily as a fragrance fixative and carrier in perfumery and cosmetics, helping extend scent release in formulations. It is also employed as a plasticizer and processing aid in polymers and coatings, improving flexibility, film formation and gloss without adding a strong odor. In adhesives and sealants, it can act as a tackifier/plasticizer to modify rheology and cure characteristics. In household products and air fresheners, it serves as a fragrance carrier or fixative to help deliver and retain scents. In some polymer and coating formulations, it is evaluated as a stabilizing or compatibilizing additive to enhance compatibility of resin blends while maintaining clarity. These applications are formulation-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.19
    methanol 3.72
    isopropanol 2.7
    water 0.08
    ethyl acetate 6.77
    n-propanol 4.62
    acetone 9.97
    n-butanol 4.11
    acetonitrile 4.9
    DMF 26.3
    toluene 9.51
    isobutanol 3.35
    1,4-dioxane 8.64
    methyl acetate 8.44
    THF 38.73
    2-butanone 14.61
    n-pentanol 4.93
    sec-butanol 5.2
    n-hexane 0.74
    ethylene glycol 1.21
    NMP 49.0
    cyclohexane 0.6
    DMSO 22.86
    n-butyl acetate 4.53
    n-octanol 3.11
    chloroform 28.85
    n-propyl acetate 5.69
    acetic acid 7.71
    dichloromethane 23.54
    cyclohexanone 20.06
    propylene glycol 2.73
    isopropyl acetate 4.85
    DMAc 51.68
    2-ethoxyethanol 9.75
    isopentanol 3.44
    n-heptane 0.8
    ethyl formate 6.52
    1,2-dichloroethane 10.55
    n-hexanol 2.95
    2-methoxyethanol 9.75
    isobutyl acetate 3.13
    tetrachloromethane 3.05
    n-pentyl acetate 6.7
    transcutol 15.23
    n-heptanol 3.5
    ethylbenzene 4.24
    MIBK 6.23
    2-propoxyethanol 8.45
    tert-butanol 3.32
    MTBE 5.34
    2-butoxyethanol 8.43
    propionic acid 8.75
    o-xylene 5.87
    formic acid 5.72
    diethyl ether 5.67
    m-xylene 5.41
    p-xylene 4.55
    chlorobenzene 8.67
    dimethyl carbonate 8.63
    n-octane 0.51
    formamide 9.49
    cyclopentanone 33.2
    2-pentanone 10.71
    anisole 7.54
    cyclopentyl methyl ether 13.5
    gamma-butyrolactone 34.62
    1-methoxy-2-propanol 11.28
    pyridine 19.44
    3-pentanone 10.97
    furfural 26.63
    n-dodecane 0.36
    diethylene glycol 4.38
    diisopropyl ether 1.64
    tert-amyl alcohol 5.48
    acetylacetone 11.11
    n-hexadecane 0.4
    acetophenone 10.88
    methyl propionate 11.35
    isopentyl acetate 3.78
    trichloroethylene 31.62
    n-nonanol 3.39
    cyclohexanol 5.08
    benzyl alcohol 8.33
    2-ethylhexanol 2.55
    isooctanol 2.79
    dipropyl ether 5.31
    1,2-dichlorobenzene 7.81
    ethyl lactate 6.49
    propylene carbonate 13.94
    n-methylformamide 12.58
    2-pentanol 3.97
    n-pentane 0.73
    1-propoxy-2-propanol 8.43
    1-methoxy-2-propyl acetate 7.4
    2-(2-methoxypropoxy) propanol 8.05
    mesitylene 2.51
    ε-caprolactone 17.42
    p-cymene 2.23
    epichlorohydrin 30.16
    1,1,1-trichloroethane 8.74
    2-aminoethanol 2.96
    morpholine-4-carbaldehyde 23.93
    sulfolane 46.52
    2,2,4-trimethylpentane 0.58
    2-methyltetrahydrofuran 16.64
    n-hexyl acetate 6.03
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 9.0
    sec-butyl acetate 4.05
    tert-butyl acetate 5.16
    decalin 0.59
    glycerin 4.62
    diglyme 15.67
    acrylic acid 10.46
    isopropyl myristate 2.58
    n-butyric acid 8.36
    acetyl acetate 4.47
    di(2-ethylhexyl) phthalate 3.19
    ethyl propionate 6.49
    nitromethane 15.86
    1,2-diethoxyethane 7.17
    benzonitrile 7.76
    trioctyl phosphate 2.43
    1-bromopropane 7.12
    gamma-valerolactone 33.05
    n-decanol 2.42
    triethyl phosphate 3.62
    4-methyl-2-pentanol 2.3
    propionitrile 6.21
    vinylene carbonate 13.78
    1,1,2-trichlorotrifluoroethane 21.6
    DMS 6.52
    cumene 2.5
    2-octanol 2.69
    2-hexanone 8.72
    octyl acetate 3.53
    limonene 3.11
    1,2-dimethoxyethane 13.71
    ethyl orthosilicate 3.38
    tributyl phosphate 2.79
    diacetone alcohol 9.01
    N,N-dimethylaniline 6.85
    acrylonitrile 9.03
    aniline 8.34
    1,3-propanediol 3.53
    bromobenzene 8.43
    dibromomethane 14.4
    1,1,2,2-tetrachloroethane 22.99
    2-methyl-cyclohexyl acetate 4.53
    tetrabutyl urea 4.83
    diisobutyl methanol 1.7
    2-phenylethanol 5.42
    styrene 4.65
    dioctyl adipate 4.52
    dimethyl sulfate 17.08
    ethyl butyrate 5.33
    methyl lactate 10.67
    butyl lactate 6.87
    diethyl carbonate 3.28
    propanediol butyl ether 6.9
    triethyl orthoformate 4.94
    p-tert-butyltoluene 2.11
    methyl 4-tert-butylbenzoate 9.91
    morpholine 12.35
    tert-butylamine 2.01
    n-dodecanol 1.71
    dimethoxymethane 16.71
    ethylene carbonate 9.15
    cyrene 15.31
    2-ethoxyethyl acetate 9.37
    2-ethylhexyl acetate 3.45
    1,2,4-trichlorobenzene 10.4
    4-methylpyridine 17.1
    dibutyl ether 3.99
    2,6-dimethyl-4-heptanol 1.7
    DEF 14.58
    dimethyl isosorbide 14.81
    tetrachloroethylene 13.24
    eugenol 8.4
    triacetin 9.22
    span 80 7.07
    1,4-butanediol 2.64
    1,1-dichloroethane 9.64
    2-methyl-1-pentanol 4.31
    methyl formate 10.35
    2-methyl-1-butanol 4.49
    n-decane 0.72
    butyronitrile 5.52
    3,7-dimethyl-1-octanol 2.5
    1-chlorooctane 2.55
    1-chlorotetradecane 0.96
    n-nonane 0.65
    undecane 0.48
    tert-butylcyclohexane 0.49
    cyclooctane 0.37
    cyclopentanol 7.65
    tetrahydropyran 9.24
    tert-amyl methyl ether 7.29
    2,5,8-trioxanonane 11.13
    1-hexene 2.63
    2-isopropoxyethanol 7.14
    2,2,2-trifluoroethanol 6.02
    methyl butyrate 8.11

    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