Poly(oxy(methyl-1,2-ethanediyl)), alpha-hydro-omega-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1)

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  • Identifiers

    CAS number
    9051-49-4

    Molecular formula
    C17H36O8

    SMILES
    C(CO)COCC(COCCCO)(COCCCO)COCCCO

    Safety labels

  • Odor profile

    Fragrance
    Alcoholic 49.0%
    Odorless 42.83%
    Sweet 30.31%
    Ethereal 26.7%
    Fruity 24.03%
    Oily 21.12%
    Solvent 19.42%
    Fishy 18.57%
    Fermented 15.65%
    Fresh 15.52%

     

    Flavor
    Sweet 44.9%
    Bitter 38.3%
    Odorless 31.01%
    Fatty 28.29%
    Musty 26.69%
    Sweet-like 26.17%
    Alcoholic 24.99%
    Vegetable 23.12%
    Earthy 22.48%
    Waxy 22.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    6.38 (neutral)

    Molecular weight
    368.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1070°C

    Flash point

    • 237.91 ˚C est.

  • Synonyms

    • 9051-49-4
    • RefChem:864673
    • Polyoxy(methyl-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1)
    • Polyoxy(methyl-1,2-ethanediyl), alpha-hydro-omega-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1)
    • 3-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]propan-1-ol
    • 3-[3-(3-hydroxypropoxy)-2,2-bis[(3-hydroxypropoxy)methyl]propoxy]propan-1-ol
    • 182919-44-4
    • Pentaerythritol propoxylate (5/4 PO/OH)
    • TETRA-(HYDROXYPROPOXYMETHYL)-METHANE
    • SCHEMBL6285483
    • DTXSID90868116
    • NS00001436
    • F94265
    • 3,3'-[{2,2-Bis[(3-hydroxypropoxy)methyl]propane-1,3-diyl}bis(oxy)]di(propan-1-ol)
    • 3,3a(2)-[[2,2-Bis[(3-hydroxypropoxy)methyl]-1,3-propanediyl]bis(oxy)]bis[1-propanol]
    • 3,3 inverted exclamation marka-[[2,2-Bis[(3-hydroxypropoxy)methyl]-1,3-propanediyl]bis(oxy)]bis[1-propanol]
    • 9051-49-4

  • Applications

    Poly(oxy(methyl-1,2-ethanediyl)), alpha-hydro-omega-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1) (CAS 9051-49-4) is a polyether polyol with two hydroxyl ends, commonly used as the polyol component in polyurethane formulations for foams and elastomers, and as a component in coatings, paints, and adhesives to tune flexibility and bonding. It is often used as a plasticizer or soft-segment modifier and can function as a crosslinking/chain-extending agent in epoxy and other polymer systems. In cosmetics and personal care, it acts as a humectant and moisturising agent. In household cleaning formulations, it can serve as a solvent or carrier and help maintain moisture in the product. In plastics and coating systems, it can be used to adjust processability and film properties as a polyol additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.2
    methanol 217.39
    isopropanol 45.43
    water 93.69
    ethyl acetate 35.47
    n-propanol 78.83
    acetone 62.16
    n-butanol 45.85
    acetonitrile 36.67
    DMF 377.99
    toluene 12.41
    isobutanol 48.66
    1,4-dioxane 65.61
    methyl acetate 48.97
    THF 132.24
    2-butanone 44.33
    n-pentanol 34.99
    sec-butanol 43.18
    n-hexane 3.09
    ethylene glycol 109.6
    NMP 486.09
    cyclohexane 9.98
    DMSO 594.95
    n-butyl acetate 25.4
    n-octanol 18.15
    chloroform 155.46
    n-propyl acetate 42.1
    acetic acid 442.4
    dichloromethane 148.95
    cyclohexanone 116.95
    propylene glycol 111.01
    isopropyl acetate 25.07
    DMAc 378.85
    2-ethoxyethanol 128.56
    isopentanol 31.03
    n-heptane 5.01
    ethyl formate 69.26
    1,2-dichloroethane 84.87
    n-hexanol 22.5
    2-methoxyethanol 200.69
    isobutyl acetate 26.06
    tetrachloromethane 30.93
    n-pentyl acetate 28.53
    transcutol 150.66
    n-heptanol 21.5
    ethylbenzene 9.16
    MIBK 22.92
    2-propoxyethanol 81.3
    tert-butanol 47.72
    MTBE 18.51
    2-butoxyethanol 72.28
    propionic acid 177.78
    o-xylene 15.89
    formic acid 447.61
    diethyl ether 14.95
    m-xylene 11.59
    p-xylene 13.48
    chlorobenzene 22.46
    dimethyl carbonate 54.38
    n-octane 2.19
    formamide 400.51
    cyclopentanone 161.63
    2-pentanone 32.92
    anisole 20.81
    cyclopentyl methyl ether 55.87
    gamma-butyrolactone 278.47
    1-methoxy-2-propanol 127.36
    pyridine 69.37
    3-pentanone 34.47
    furfural 214.22
    n-dodecane 1.45
    diethylene glycol 96.7
    diisopropyl ether 6.48
    tert-amyl alcohol 45.95
    acetylacetone 55.14
    n-hexadecane 1.56
    acetophenone 46.28
    methyl propionate 59.96
    isopentyl acetate 23.69
    trichloroethylene 179.16
    n-nonanol 17.75
    cyclohexanol 66.06
    benzyl alcohol 44.08
    2-ethylhexanol 16.09
    isooctanol 17.77
    dipropyl ether 19.14
    1,2-dichlorobenzene 30.91
    ethyl lactate 69.3
    propylene carbonate 148.29
    n-methylformamide 233.26
    2-pentanol 23.19
    n-pentane 3.58
    1-propoxy-2-propanol 59.62
    1-methoxy-2-propyl acetate 43.53
    2-(2-methoxypropoxy) propanol 58.92
    mesitylene 9.78
    ε-caprolactone 133.24
    p-cymene 10.87
    epichlorohydrin 169.73
    1,1,1-trichloroethane 55.96
    2-aminoethanol 154.83
    morpholine-4-carbaldehyde 266.96
    sulfolane 489.27
    2,2,4-trimethylpentane 3.5
    2-methyltetrahydrofuran 65.36
    n-hexyl acetate 29.58
    isooctane 1.68
    2-(2-butoxyethoxy)ethanol 69.68
    sec-butyl acetate 23.33
    tert-butyl acetate 28.13
    decalin 5.0
    glycerin 210.78
    diglyme 133.04
    acrylic acid 214.19
    isopropyl myristate 11.09
    n-butyric acid 139.44
    acetyl acetate 37.96
    di(2-ethylhexyl) phthalate 22.5
    ethyl propionate 38.61
    nitromethane 353.81
    1,2-diethoxyethane 26.88
    benzonitrile 38.84
    trioctyl phosphate 18.24
    1-bromopropane 29.06
    gamma-valerolactone 252.52
    n-decanol 12.15
    triethyl phosphate 35.94
    4-methyl-2-pentanol 14.31
    propionitrile 32.69
    vinylene carbonate 150.69
    1,1,2-trichlorotrifluoroethane 338.74
    DMS 35.77
    cumene 8.69
    2-octanol 12.69
    2-hexanone 31.02
    octyl acetate 16.75
    limonene 16.32
    1,2-dimethoxyethane 109.46
    ethyl orthosilicate 31.83
    tributyl phosphate 22.29
    diacetone alcohol 58.67
    N,N-dimethylaniline 28.63
    acrylonitrile 57.75
    aniline 34.18
    1,3-propanediol 119.45
    bromobenzene 19.98
    dibromomethane 83.55
    1,1,2,2-tetrachloroethane 180.83
    2-methyl-cyclohexyl acetate 34.87
    tetrabutyl urea 32.3
    diisobutyl methanol 11.26
    2-phenylethanol 26.28
    styrene 10.4
    dioctyl adipate 28.25
    dimethyl sulfate 160.01
    ethyl butyrate 32.71
    methyl lactate 104.73
    butyl lactate 53.62
    diethyl carbonate 28.98
    propanediol butyl ether 75.24
    triethyl orthoformate 37.17
    p-tert-butyltoluene 10.83
    methyl 4-tert-butylbenzoate 52.88
    morpholine 122.49
    tert-butylamine 24.84
    n-dodecanol 9.03
    dimethoxymethane 100.45
    ethylene carbonate 115.64
    cyrene 128.85
    2-ethoxyethyl acetate 38.37
    2-ethylhexyl acetate 20.1
    1,2,4-trichlorobenzene 45.62
    4-methylpyridine 47.84
    dibutyl ether 13.19
    2,6-dimethyl-4-heptanol 11.26
    DEF 91.73
    dimethyl isosorbide 102.55
    tetrachloroethylene 122.94
    eugenol 55.12
    triacetin 68.21
    span 80 58.85
    1,4-butanediol 69.3
    1,1-dichloroethane 50.41
    2-methyl-1-pentanol 25.88
    methyl formate 161.43
    2-methyl-1-butanol 38.26
    n-decane 2.57
    butyronitrile 26.06
    3,7-dimethyl-1-octanol 14.9
    1-chlorooctane 9.51
    1-chlorotetradecane 3.77
    n-nonane 2.47
    undecane 1.82
    tert-butylcyclohexane 3.8
    cyclooctane 4.54
    cyclopentanol 97.06
    tetrahydropyran 51.84
    tert-amyl methyl ether 23.28
    2,5,8-trioxanonane 88.91
    1-hexene 7.33
    2-isopropoxyethanol 70.84
    2,2,2-trifluoroethanol 272.42
    methyl butyrate 57.83

    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