3,6,9,12,15-Pentaoxahentriacontan-1-ol

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  • Identifiers

    CAS number
    4478-97-1

    Molecular formula
    C26H54O6

    SMILES
    CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO

    Safety labels

  • Odor profile

    Fragrance
    Waxy 42.05%
    Odorless 32.24%
    Oily 31.57%
    Alcoholic 30.53%
    Fresh 27.11%
    Fatty 25.25%
    Sweet 23.99%
    Clean 22.95%
    Fruity 22.7%
    Ethereal 18.64%

     

    Flavor
    Waxy 54.2%
    Fatty 39.83%
    Green 37.94%
    Mushroom 36.93%
    Floral 36.41%
    Oily 35.59%
    Sweet 33.53%
    Fruity 31.71%
    Earthy 31.14%
    Rose 30.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    5.67 (weak acid)

    Molecular weight
    462.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    622°C

    Flash point

    • 222.15 ˚C est.

  • Synonyms

    • 4478-97-1
    • 3,6,9,12,15-Pentaoxahentriacontan-1-ol
    • RefChem:487157
    • Pentaethylene glycol monohexadecyl ether
    • 2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
    • Hexadecylpentaglycol
    • PENTAETHYLENEGLYCOLMONOHEXADECYLETHER
    • C16E5
    • SCHEMBL60628
    • DTXSID80398932
    • CJZQCJWPIYNMQG-UHFFFAOYSA-N
    • C26H54O6
    • penta-ethyleneglycol hexadecyl ether
    • MFCD00043365
    • NS00076700
    • F88025
    • Pentaethylene glycol monohexadecyl ether, BioXtra, >=99.0% (TLC)
    • 4478-97-1

  • Applications

    3,6,9,12,15-Pentaoxahentriacontan-1-ol is a long-chain polyether polyol with five ether linkages and a terminal hydroxyl group; in polyurethane technology it may be used as a polyol component to tailor foam softness, flexibility and crosslink density; it can function as a nonionic surfactant, emulsifier and wetting agent in coatings, inks and cleaning formulations; it may serve as a plasticizer or rheology modifier in polymers and plastics; it can act as an intermediate in chemical synthesis; in cosmetics/personal care it may be used as an emulsifier or conditioning agent; and in household and cleaning products it may function as a surfactant and wetting aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.36
    methanol 2.47
    isopropanol 1.11
    water 0.15
    ethyl acetate 18.88
    n-propanol 2.28
    acetone 10.63
    n-butanol 2.35
    acetonitrile 5.0
    DMF 24.93
    toluene 9.74
    isobutanol 2.35
    1,4-dioxane 24.68
    methyl acetate 14.32
    THF 54.42
    2-butanone 16.06
    n-pentanol 3.1
    sec-butanol 2.9
    n-hexane 1.99
    ethylene glycol 0.7
    NMP 122.12
    cyclohexane 11.64
    DMSO 57.85
    n-butyl acetate 23.15
    n-octanol 7.48
    chloroform 101.38
    n-propyl acetate 24.61
    acetic acid 15.35
    dichloromethane 107.69
    cyclohexanone 63.84
    propylene glycol 1.12
    isopropyl acetate 16.22
    DMAc 70.47
    2-ethoxyethanol 12.2
    isopentanol 3.33
    n-heptane 4.49
    ethyl formate 11.37
    1,2-dichloroethane 56.07
    n-hexanol 3.14
    2-methoxyethanol 9.48
    isobutyl acetate 16.09
    tetrachloromethane 26.79
    n-pentyl acetate 41.87
    transcutol 87.03
    n-heptanol 6.17
    ethylbenzene 8.12
    MIBK 12.42
    2-propoxyethanol 11.97
    tert-butanol 2.96
    MTBE 8.36
    2-butoxyethanol 21.07
    propionic acid 11.17
    o-xylene 12.86
    formic acid 6.12
    diethyl ether 6.81
    m-xylene 8.43
    p-xylene 11.39
    chlorobenzene 19.7
    dimethyl carbonate 11.45
    n-octane 2.33
    formamide 10.33
    cyclopentanone 65.99
    2-pentanone 13.83
    anisole 16.12
    cyclopentyl methyl ether 36.63
    gamma-butyrolactone 79.35
    1-methoxy-2-propanol 9.37
    pyridine 30.23
    3-pentanone 19.5
    furfural 68.52
    n-dodecane 1.31
    diethylene glycol 6.06
    diisopropyl ether 5.12
    tert-amyl alcohol 6.17
    acetylacetone 29.82
    n-hexadecane 1.58
    acetophenone 29.71
    methyl propionate 18.45
    isopentyl acetate 23.2
    trichloroethylene 118.27
    n-nonanol 8.44
    cyclohexanol 10.96
    benzyl alcohol 9.95
    2-ethylhexanol 6.67
    isooctanol 7.18
    dipropyl ether 17.14
    1,2-dichlorobenzene 33.53
    ethyl lactate 15.59
    propylene carbonate 47.65
    n-methylformamide 10.46
    2-pentanol 2.56
    n-pentane 1.22
    1-propoxy-2-propanol 15.64
    1-methoxy-2-propyl acetate 28.59
    2-(2-methoxypropoxy) propanol 29.01
    mesitylene 7.87
    ε-caprolactone 67.8
    p-cymene 10.14
    epichlorohydrin 73.06
    1,1,1-trichloroethane 60.17
    2-aminoethanol 1.74
    morpholine-4-carbaldehyde 63.27
    sulfolane 194.7
    2,2,4-trimethylpentane 2.5
    2-methyltetrahydrofuran 37.76
    n-hexyl acetate 33.0
    isooctane 0.95
    2-(2-butoxyethoxy)ethanol 30.57
    sec-butyl acetate 20.33
    tert-butyl acetate 27.09
    decalin 5.92
    glycerin 3.69
    diglyme 87.39
    acrylic acid 11.31
    isopropyl myristate 12.85
    n-butyric acid 17.58
    acetyl acetate 24.12
    di(2-ethylhexyl) phthalate 13.2
    ethyl propionate 24.87
    nitromethane 37.29
    1,2-diethoxyethane 35.03
    benzonitrile 14.42
    trioctyl phosphate 9.63
    1-bromopropane 21.23
    gamma-valerolactone 91.57
    n-decanol 5.38
    triethyl phosphate 33.34
    4-methyl-2-pentanol 2.65
    propionitrile 5.69
    vinylene carbonate 42.46
    1,1,2-trichlorotrifluoroethane 79.83
    DMS 26.97
    cumene 7.35
    2-octanol 5.95
    2-hexanone 17.56
    octyl acetate 15.88
    limonene 17.02
    1,2-dimethoxyethane 33.32
    ethyl orthosilicate 31.5
    tributyl phosphate 14.01
    diacetone alcohol 21.27
    N,N-dimethylaniline 17.43
    acrylonitrile 7.96
    aniline 9.76
    1,3-propanediol 2.52
    bromobenzene 26.29
    dibromomethane 57.65
    1,1,2,2-tetrachloroethane 119.94
    2-methyl-cyclohexyl acetate 34.38
    tetrabutyl urea 22.71
    diisobutyl methanol 5.92
    2-phenylethanol 9.06
    styrene 8.39
    dioctyl adipate 28.78
    dimethyl sulfate 43.76
    ethyl butyrate 34.17
    methyl lactate 11.3
    butyl lactate 27.72
    diethyl carbonate 24.0
    propanediol butyl ether 14.12
    triethyl orthoformate 40.89
    p-tert-butyltoluene 9.43
    methyl 4-tert-butylbenzoate 43.03
    morpholine 28.14
    tert-butylamine 2.54
    n-dodecanol 3.89
    dimethoxymethane 15.11
    ethylene carbonate 35.94
    cyrene 40.33
    2-ethoxyethyl acetate 50.65
    2-ethylhexyl acetate 25.31
    1,2,4-trichlorobenzene 46.12
    4-methylpyridine 22.33
    dibutyl ether 20.27
    2,6-dimethyl-4-heptanol 5.92
    DEF 32.02
    dimethyl isosorbide 76.15
    tetrachloroethylene 80.16
    eugenol 31.63
    triacetin 67.82
    span 80 23.28
    1,4-butanediol 1.78
    1,1-dichloroethane 30.83
    2-methyl-1-pentanol 4.86
    methyl formate 9.79
    2-methyl-1-butanol 4.02
    n-decane 3.14
    butyronitrile 5.42
    3,7-dimethyl-1-octanol 8.33
    1-chlorooctane 12.44
    1-chlorotetradecane 3.92
    n-nonane 2.97
    undecane 1.88
    tert-butylcyclohexane 3.55
    cyclooctane 4.78
    cyclopentanol 10.85
    tetrahydropyran 27.94
    tert-amyl methyl ether 13.75
    2,5,8-trioxanonane 54.51
    1-hexene 3.78
    2-isopropoxyethanol 10.78
    2,2,2-trifluoroethanol 15.04
    methyl butyrate 31.88

    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