Dipentaerythritol

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  • Identifiers

    CAS number
    126-58-9

    Molecular formula
    C10H22O7

    SMILES
    C(C(CO)(CO)COCC(CO)(CO)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.79%
    Sweet 41.61%
    Alcoholic 39.46%
    Fruity 26.71%
    Oily 21.5%
    Fishy 20.63%
    Ethereal 19.96%
    Mint 18.86%
    Solvent 18.11%
    Cooling 17.07%

     

    Flavor
    Sweet 48.84%
    Odorless 41.09%
    Bitter 40.54%
    Sweet-like 27.19%
    Mild 20.85%
    Musty 20.5%
    Very slight 20.36%
    Alcoholic 20.08%
    Fatty 19.57%
    Pulpy 19.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.8

    pKa est.
    5.59 (weak acid)

    Molecular weight
    254.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    883°C

    Melting point expt.

    • 212-220 °C

    Flash point

    • 258.11 ˚C est.

    Solubility expt.

    • Solubility at 25 °C in: methanol 0.25 g/100 g; ethanol 0.07 g/100 g; acetone < 0.1 g 100 g; benzene < 0.1 g/100 g.
    • Solubility in water 0.30 g/100 g

  • Synonyms

    • DIPENTAERYTHRITOL
    • 126-58-9
    • Dipentek
    • 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-
    • Bis(pentaerythritol)
    • NSC 65881
    • HSDB 5610
    • EINECS 204-794-1
    • DTXSID3027039
    • 2,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol
    • NSC-65881
    • 6699UJQ478
    • DTXCID207039
    • DIPENTAERYTHRITOL [HSDB]
    • EC 204-794-1
    • 1,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)-
    • Dipentaerythritol (8CI)
    • RefChem:588782
    • 1,3Propanediol, 2,2'(oxybis(methylene))bis(2(hydroxymethyl)
    • 2,2'-(Oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol)
    • MFCD00004691
    • C10H22O7
    • 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
    • 2-{[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl}-2-(hydroxymethyl)propane-1,3-diol
    • 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]
    • UNII-6699UJQ478
    • Bis[petaerythritol]
    • Hercules Tech Di-PE
    • 2,2'-(Oxybis(methylene))bis(2-(hydroxymethyl)-propane-1,3-diol)
    • 1,3-Propanediol, 2,2'-(oxybis-(methylene)
    • SCHEMBL15930
    • 2,2,6,6-Tetrakis(hydroxymethyl)-4-oxaheptane-1,7-diol
    • CHEMBL3185131
    • TXBCBTDQIULDIA-UHFFFAOYSA-
    • Dipentaerythritol, technical grade
    • NSC65881
    • Tox21_301606
    • ZINC01693058
    • (HOCH2)3CCH2OCH2C(CH2OH)3
    • AKOS015909533
    • NCGC00164220-01
    • NCGC00255156-01
    • CAS-126-58-9
    • DS-14845
    • Bis[2,2,2-tris(hydroxymethyl)ethyl] Ether
    • D1342
    • NS00005959
    • EN300-132789
    • 1, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-
    • Q27263983
    • 2,2,6,6,-Tetra(hydroxymethyl)-4-oxaheptane-1,7-diol
    • 2-([3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl)-2-(hydroxymethyl)-1,3-propanediol #
    • 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3
    • 204-794-1
    • InChI=1/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2
    • 126-58-9

  • Applications

    Dipentaerythritol (CAS 126-58-9) is a multifunctional polyol used as a crosslinking agent and building block for resin systems. In coatings and adhesives, it provides a high-functionality component to formulations for epoxy resins, polyurethane systems, and alkyds, improving hardness, chemical resistance and heat stability. It is also used in UV-curable coatings and inks as a polyol source for acrylate and urethane acrylate resins. As an intermediate, it is commonly employed to synthesize specialized derivatives, including phosphate esters used as flame retardants in plastics and coatings. Additionally, it serves as a precursor to high-performance polyesters and other specialty polymers, expanding formulation options for electronics encapsulation, automotive finishes, and industrial coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.56
    methanol 12.79
    isopropanol 2.46
    water 52.13
    ethyl acetate 0.72
    n-propanol 4.57
    acetone 0.8
    n-butanol 3.07
    acetonitrile 0.31
    DMF 51.54
    toluene 0.32
    isobutanol 2.82
    1,4-dioxane 3.04
    methyl acetate 0.97
    THF 6.61
    2-butanone 1.16
    n-pentanol 1.61
    sec-butanol 3.16
    n-hexane 0.21
    ethylene glycol 23.34
    NMP 77.25
    cyclohexane 0.69
    DMSO 69.52
    n-butyl acetate 0.81
    n-octanol 1.68
    chloroform 1.77
    n-propyl acetate 0.7
    acetic acid 20.91
    dichloromethane 1.07
    cyclohexanone 3.98
    propylene glycol 26.63
    isopropyl acetate 0.71
    DMAc 40.3
    2-ethoxyethanol 9.69
    isopentanol 2.02
    n-heptane 0.55
    ethyl formate 1.39
    1,2-dichloroethane 0.85
    n-hexanol 1.98
    2-methoxyethanol 25.58
    isobutyl acetate 0.53
    tetrachloromethane 0.87
    n-pentyl acetate 1.04
    transcutol 17.05
    n-heptanol 2.43
    ethylbenzene 0.28
    MIBK 1.2
    2-propoxyethanol 8.4
    tert-butanol 3.55
    MTBE 0.86
    2-butoxyethanol 7.27
    propionic acid 9.74
    o-xylene 0.68
    formic acid 85.9
    diethyl ether 0.64
    m-xylene 0.48
    p-xylene 0.35
    chlorobenzene 0.3
    dimethyl carbonate 2.81
    n-octane 0.24
    formamide 61.5
    cyclopentanone 6.29
    2-pentanone 1.07
    anisole 0.65
    cyclopentyl methyl ether 3.16
    gamma-butyrolactone 11.07
    1-methoxy-2-propanol 17.82
    pyridine 1.82
    3-pentanone 1.23
    furfural 10.0
    n-dodecane 0.12
    diethylene glycol 16.14
    diisopropyl ether 0.42
    tert-amyl alcohol 4.1
    acetylacetone 1.65
    n-hexadecane 0.13
    acetophenone 1.62
    methyl propionate 2.14
    isopentyl acetate 0.9
    trichloroethylene 2.04
    n-nonanol 1.65
    cyclohexanol 4.98
    benzyl alcohol 1.92
    2-ethylhexanol 1.4
    isooctanol 1.93
    dipropyl ether 1.17
    1,2-dichlorobenzene 0.56
    ethyl lactate 4.75
    propylene carbonate 5.65
    n-methylformamide 19.14
    2-pentanol 1.9
    n-pentane 0.32
    1-propoxy-2-propanol 6.67
    1-methoxy-2-propyl acetate 2.83
    2-(2-methoxypropoxy) propanol 7.33
    mesitylene 0.54
    ε-caprolactone 5.13
    p-cymene 0.68
    epichlorohydrin 4.34
    1,1,1-trichloroethane 0.59
    2-aminoethanol 28.38
    morpholine-4-carbaldehyde 32.09
    sulfolane 49.61
    2,2,4-trimethylpentane 0.32
    2-methyltetrahydrofuran 2.99
    n-hexyl acetate 1.45
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 8.76
    sec-butyl acetate 0.58
    tert-butyl acetate 1.33
    decalin 0.29
    glycerin 75.3
    diglyme 12.64
    acrylic acid 15.54
    isopropyl myristate 0.61
    n-butyric acid 6.4
    acetyl acetate 0.73
    di(2-ethylhexyl) phthalate 1.44
    ethyl propionate 0.9
    nitromethane 9.06
    1,2-diethoxyethane 1.2
    benzonitrile 0.76
    trioctyl phosphate 1.33
    1-bromopropane 0.46
    gamma-valerolactone 13.05
    n-decanol 1.12
    triethyl phosphate 2.08
    4-methyl-2-pentanol 1.46
    propionitrile 0.61
    vinylene carbonate 4.89
    1,1,2-trichlorotrifluoroethane 28.67
    DMS 1.77
    cumene 0.36
    2-octanol 1.32
    2-hexanone 0.72
    octyl acetate 0.87
    limonene 1.17
    1,2-dimethoxyethane 5.69
    ethyl orthosilicate 1.87
    tributyl phosphate 1.36
    diacetone alcohol 6.17
    N,N-dimethylaniline 1.52
    acrylonitrile 1.1
    aniline 1.47
    1,3-propanediol 19.29
    bromobenzene 0.24
    dibromomethane 0.76
    1,1,2,2-tetrachloroethane 3.13
    2-methyl-cyclohexyl acetate 1.54
    tetrabutyl urea 2.41
    diisobutyl methanol 1.27
    2-phenylethanol 1.69
    styrene 0.25
    dioctyl adipate 1.29
    dimethyl sulfate 11.93
    ethyl butyrate 1.08
    methyl lactate 12.49
    butyl lactate 4.39
    diethyl carbonate 0.92
    propanediol butyl ether 12.31
    triethyl orthoformate 1.73
    p-tert-butyltoluene 0.85
    methyl 4-tert-butylbenzoate 4.78
    morpholine 7.58
    tert-butylamine 1.82
    n-dodecanol 0.79
    dimethoxymethane 7.01
    ethylene carbonate 3.13
    cyrene 18.18
    2-ethoxyethyl acetate 1.49
    2-ethylhexyl acetate 0.78
    1,2,4-trichlorobenzene 0.9
    4-methylpyridine 1.04
    dibutyl ether 0.64
    2,6-dimethyl-4-heptanol 1.27
    DEF 5.54
    dimethyl isosorbide 11.65
    tetrachloroethylene 2.97
    eugenol 4.96
    triacetin 3.46
    span 80 8.04
    1,4-butanediol 7.08
    1,1-dichloroethane 0.41
    2-methyl-1-pentanol 1.38
    methyl formate 8.13
    2-methyl-1-butanol 2.68
    n-decane 0.23
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 1.39
    1-chlorooctane 0.48
    1-chlorotetradecane 0.22
    n-nonane 0.22
    undecane 0.16
    tert-butylcyclohexane 0.23
    cyclooctane 0.45
    cyclopentanol 7.17
    tetrahydropyran 2.03
    tert-amyl methyl ether 1.58
    2,5,8-trioxanonane 9.42
    1-hexene 0.27
    2-isopropoxyethanol 4.44
    2,2,2-trifluoroethanol 23.87
    methyl butyrate 1.34

    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