Pentaerythritol phosphite

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  • Identifiers

    CAS number
    873-93-8

    Molecular formula
    C5H9O4P

    SMILES
    C1C2(COP(O1)OC2)CO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.36%
    Odorless 35.65%
    Fishy 19.96%
    Animal 19.41%
    Alcoholic 18.73%
    Oily 18.4%
    Ethereal 17.16%
    Nutty 16.56%
    Solvent 16.54%
    Mint 16.14%

     

    Flavor
    Bitter 50.58%
    Fatty 33.26%
    Sweet 29.98%
    Sweet-like 22.54%
    Alkaline 21.13%
    Cauliflower 21.05%
    Roasted 20.96%
    Naphthalic 20.29%
    Cereal 20.05%
    Bouillon 19.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    6.72 (neutral)

    Molecular weight
    164.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 148.63 ˚C est.

  • Synonyms

    • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol
    • 873-93-8
    • DTXSID10236277
    • pentaerythritol phosphite
    • RefChem:1094463
    • DTXCID10158768
    • BRN 0970382
    • 4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane
    • SCHEMBL39079
    • AKOS006281478
    • 2,6,7-trioxa-1-phosphabicyclo-[2,2,2]octane-4-methanol
    • (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methanol
    • 4-hydroxymethyl-1-phospha-2,6,7-trioxabicyclo[2,2,2]octane
    • 873-93-8

  • Applications

    Pentaerythritol phosphite (CAS 873-93-8) is primarily used as a processing and antioxidant stabilizer in polymer formulations, notably for polyolefins and PVC, helping prevent oxidative degradation during melt processing and in end-use. It also serves as an antioxidant additive in lubricants and metalworking fluids, and as a stabilizer in coatings and inks to improve thermal stability and color retention. In adhesives and other polymer-based systems, it functions as a stabilizer/processing aid. Additionally, it can be used as an intermediate in the synthesis of phosphorus-containing stabilizers for plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.4
    methanol 29.42
    isopropanol 8.32
    water 43.67
    ethyl acetate 2.41
    n-propanol 7.69
    acetone 6.84
    n-butanol 6.52
    acetonitrile 6.16
    DMF 43.28
    toluene 0.7
    isobutanol 5.21
    1,4-dioxane 5.07
    methyl acetate 3.55
    THF 14.26
    2-butanone 4.01
    n-pentanol 3.79
    sec-butanol 5.28
    n-hexane 0.17
    ethylene glycol 21.52
    NMP 45.03
    cyclohexane 0.49
    DMSO 41.09
    n-butyl acetate 3.51
    n-octanol 4.54
    chloroform 5.38
    n-propyl acetate 2.7
    acetic acid 37.48
    dichloromethane 3.91
    cyclohexanone 8.49
    propylene glycol 18.42
    isopropyl acetate 2.27
    DMAc 33.2
    2-ethoxyethanol 16.19
    isopentanol 4.78
    n-heptane 0.7
    ethyl formate 5.81
    1,2-dichloroethane 2.26
    n-hexanol 5.22
    2-methoxyethanol 32.68
    isobutyl acetate 2.05
    tetrachloromethane 1.26
    n-pentyl acetate 3.72
    transcutol 23.49
    n-heptanol 6.1
    ethylbenzene 0.53
    MIBK 3.42
    2-propoxyethanol 16.89
    tert-butanol 8.54
    MTBE 1.86
    2-butoxyethanol 16.48
    propionic acid 12.54
    o-xylene 1.28
    formic acid 63.95
    diethyl ether 1.44
    m-xylene 1.15
    p-xylene 0.94
    chlorobenzene 1.3
    dimethyl carbonate 4.55
    n-octane 0.38
    formamide 72.4
    cyclopentanone 15.96
    2-pentanone 3.74
    anisole 1.86
    cyclopentyl methyl ether 4.11
    gamma-butyrolactone 20.27
    1-methoxy-2-propanol 23.85
    pyridine 5.73
    3-pentanone 2.38
    furfural 25.0
    n-dodecane 0.31
    diethylene glycol 24.41
    diisopropyl ether 0.78
    tert-amyl alcohol 6.41
    acetylacetone 5.62
    n-hexadecane 0.33
    acetophenone 4.48
    methyl propionate 3.95
    isopentyl acetate 3.8
    trichloroethylene 6.57
    n-nonanol 4.3
    cyclohexanol 5.58
    benzyl alcohol 5.39
    2-ethylhexanol 3.37
    isooctanol 5.11
    dipropyl ether 2.47
    1,2-dichlorobenzene 1.97
    ethyl lactate 8.53
    propylene carbonate 11.62
    n-methylformamide 32.01
    2-pentanol 3.76
    n-pentane 0.32
    1-propoxy-2-propanol 12.99
    1-methoxy-2-propyl acetate 6.99
    2-(2-methoxypropoxy) propanol 13.97
    mesitylene 1.09
    ε-caprolactone 9.53
    p-cymene 1.76
    epichlorohydrin 11.05
    1,1,1-trichloroethane 1.97
    2-aminoethanol 23.65
    morpholine-4-carbaldehyde 31.23
    sulfolane 38.22
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 5.35
    n-hexyl acetate 4.54
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 16.97
    sec-butyl acetate 1.77
    tert-butyl acetate 3.28
    decalin 0.26
    glycerin 42.27
    diglyme 24.01
    acrylic acid 18.46
    isopropyl myristate 2.16
    n-butyric acid 11.59
    acetyl acetate 2.71
    di(2-ethylhexyl) phthalate 4.89
    ethyl propionate 2.14
    nitromethane 34.78
    1,2-diethoxyethane 3.0
    benzonitrile 4.8
    trioctyl phosphate 4.12
    1-bromopropane 0.94
    gamma-valerolactone 25.01
    n-decanol 3.24
    triethyl phosphate 3.59
    4-methyl-2-pentanol 3.1
    propionitrile 3.78
    vinylene carbonate 10.69
    1,1,2-trichlorotrifluoroethane 29.31
    DMS 3.28
    cumene 0.73
    2-octanol 3.67
    2-hexanone 2.75
    octyl acetate 3.19
    limonene 2.22
    1,2-dimethoxyethane 10.44
    ethyl orthosilicate 3.28
    tributyl phosphate 3.71
    diacetone alcohol 11.13
    N,N-dimethylaniline 2.89
    acrylonitrile 7.69
    aniline 3.66
    1,3-propanediol 21.89
    bromobenzene 0.95
    dibromomethane 2.18
    1,1,2,2-tetrachloroethane 6.27
    2-methyl-cyclohexyl acetate 4.7
    tetrabutyl urea 6.12
    diisobutyl methanol 2.94
    2-phenylethanol 6.5
    styrene 0.55
    dioctyl adipate 3.91
    dimethyl sulfate 12.36
    ethyl butyrate 3.5
    methyl lactate 15.27
    butyl lactate 9.51
    diethyl carbonate 2.82
    propanediol butyl ether 19.68
    triethyl orthoformate 3.85
    p-tert-butyltoluene 2.05
    methyl 4-tert-butylbenzoate 10.97
    morpholine 10.51
    tert-butylamine 4.0
    n-dodecanol 2.45
    dimethoxymethane 12.12
    ethylene carbonate 7.15
    cyrene 21.64
    2-ethoxyethyl acetate 5.03
    2-ethylhexyl acetate 2.84
    1,2,4-trichlorobenzene 2.99
    4-methylpyridine 4.02
    dibutyl ether 1.66
    2,6-dimethyl-4-heptanol 2.94
    DEF 8.17
    dimethyl isosorbide 18.98
    tetrachloroethylene 4.84
    eugenol 13.15
    triacetin 8.15
    span 80 13.86
    1,4-butanediol 10.71
    1,1-dichloroethane 1.78
    2-methyl-1-pentanol 2.99
    methyl formate 18.71
    2-methyl-1-butanol 4.37
    n-decane 0.46
    butyronitrile 3.8
    3,7-dimethyl-1-octanol 4.01
    1-chlorooctane 1.2
    1-chlorotetradecane 0.64
    n-nonane 0.41
    undecane 0.36
    tert-butylcyclohexane 0.26
    cyclooctane 0.34
    cyclopentanol 9.05
    tetrahydropyran 3.24
    tert-amyl methyl ether 2.09
    2,5,8-trioxanonane 18.98
    1-hexene 0.36
    2-isopropoxyethanol 9.26
    2,2,2-trifluoroethanol 26.24
    methyl butyrate 3.65

    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