Octanoic acid, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) ester

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  • Identifiers

    CAS number
    106-10-5

    Molecular formula
    C22H42O6

    SMILES
    CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 52.66%
    Fruity 49.6%
    Fatty 49.26%
    Winey 35.52%
    Waxy 33.43%
    Buttery 33.32%
    Peach 32.86%
    Sweet 32.34%
    Odorless 27.9%
    Lactonic 27.43%

     

    Flavor
    Fruity 66.71%
    Waxy 63.96%
    Sweet 47.31%
    Green 45.09%
    Oily 42.95%
    Fatty 39.51%
    Wine 38.56%
    Creamy 37.51%
    Tropical 36.92%
    Soapy 34.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.25 (neutral)

    Molecular weight
    402.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    443°C

    Flash point

    • 189.43 ˚C est.

  • Synonyms

    • 106-10-5
    • Triethylene glycol dioctanoate
    • Octanoic acid, diester with triethylene glycol
    • Octanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
    • NSC 6380
    • EINECS 203-361-4
    • DTXSID4059334
    • Octanoic acid, ethylenebis(oxyethylene) ester
    • Octanoic acid, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) ester
    • Octanoic acid, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester
    • RefChem:167794
    • DTXCID1032989
    • Octanoic acid, ethylenebis(oxyethylene) ester (8CI)
    • Triethylene glycol dicaprylate
    • (Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) dioctanoate
    • 2-[2-(2-octanoyloxyethoxy)ethoxy]ethyl octanoate
    • 2,2'-Ethylenedioxydiethyl dioctanoate
    • NSC-6380
    • MFCD00048916
    • 2,2/'-ethylenedioxydiethyl dioctanoate
    • PEG3 Dioctanoate
    • RUCOFLEX TG 8
    • UQG6XXC2P3
    • SCHEMBL80626
    • Triethylene glycol, dioctanoate
    • NSC6380
    • Triethylene glycol bis(octanoate)
    • YJGHMLJGPSVSLF-UHFFFAOYSA-N
    • AAA10610
    • AKOS002805496
    • MSK161695-1000B
    • LS-14977
    • CS-0161996
    • NS00021479
    • D81565
    • Octanoic acid,2-ethanediylbis(oxy-2,1-ethanediyl) ester
    • (Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl)dioctanoate
    • [(Ethane-1,2-diyl)bis(oxy)ethane-2,1-diyl] dioctanoate
    • 2,2'-Ethylenedioxydiethyl dioctanoate Solution in Acetone, 1000ug/mL
    • 106-10-5

  • Applications

    Octanoic acid, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) ester (CAS 106-10-5) is primarily used as a plasticizer for polymers and plastics, notably PVC and polyurethanes; it also serves as a solvent and processing aid in coatings, inks, and cleaners; it functions as a component in lubricant formulations and lubricant additives; in cosmetics and personal care it can act as an emollient and solvent; and it is a precursor for surfactant synthesis or other ester derivatives in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.74
    methanol 22.21
    isopropanol 9.48
    water 0.39
    ethyl acetate 120.55
    n-propanol 15.25
    acetone 109.71
    n-butanol 14.32
    acetonitrile 57.53
    DMF 173.92
    toluene 67.3
    isobutanol 14.68
    1,4-dioxane 122.18
    methyl acetate 105.64
    THF 271.51
    2-butanone 112.68
    n-pentanol 16.84
    sec-butanol 17.48
    n-hexane 5.83
    ethylene glycol 3.45
    NMP 617.45
    cyclohexane 32.67
    DMSO 370.93
    n-butyl acetate 78.92
    n-octanol 21.16
    chloroform 540.91
    n-propyl acetate 110.14
    acetic acid 123.1
    dichloromethane 667.45
    cyclohexanone 371.83
    propylene glycol 5.51
    isopropyl acetate 85.7
    DMAc 468.18
    2-ethoxyethanol 59.08
    isopentanol 18.83
    n-heptane 5.09
    ethyl formate 63.73
    1,2-dichloroethane 366.62
    n-hexanol 12.17
    2-methoxyethanol 58.17
    isobutyl acetate 58.72
    tetrachloromethane 99.67
    n-pentyl acetate 124.86
    transcutol 333.52
    n-heptanol 16.66
    ethylbenzene 38.79
    MIBK 68.43
    2-propoxyethanol 48.34
    tert-butanol 23.43
    MTBE 45.93
    2-butoxyethanol 64.35
    propionic acid 66.45
    o-xylene 67.95
    formic acid 43.22
    diethyl ether 37.54
    m-xylene 45.74
    p-xylene 61.37
    chlorobenzene 134.59
    dimethyl carbonate 56.67
    n-octane 3.42
    formamide 83.09
    cyclopentanone 370.92
    2-pentanone 94.03
    anisole 78.51
    cyclopentyl methyl ether 144.92
    gamma-butyrolactone 439.34
    1-methoxy-2-propanol 46.99
    pyridine 204.13
    3-pentanone 117.06
    furfural 361.44
    n-dodecane 2.52
    diethylene glycol 27.34
    diisopropyl ether 18.8
    tert-amyl alcohol 35.44
    acetylacetone 198.32
    n-hexadecane 3.0
    acetophenone 142.55
    methyl propionate 104.87
    isopentyl acetate 74.85
    trichloroethylene 728.74
    n-nonanol 22.17
    cyclohexanol 54.72
    benzyl alcohol 53.5
    2-ethylhexanol 17.23
    isooctanol 18.34
    dipropyl ether 37.02
    1,2-dichlorobenzene 186.62
    ethyl lactate 51.43
    propylene carbonate 218.51
    n-methylformamide 74.82
    2-pentanol 12.74
    n-pentane 3.7
    1-propoxy-2-propanol 47.26
    1-methoxy-2-propyl acetate 95.64
    2-(2-methoxypropoxy) propanol 83.6
    mesitylene 33.77
    ε-caprolactone 322.01
    p-cymene 26.13
    epichlorohydrin 410.86
    1,1,1-trichloroethane 348.33
    2-aminoethanol 9.34
    morpholine-4-carbaldehyde 298.61
    sulfolane 823.36
    2,2,4-trimethylpentane 6.05
    2-methyltetrahydrofuran 186.06
    n-hexyl acetate 113.3
    isooctane 2.14
    2-(2-butoxyethoxy)ethanol 93.63
    sec-butyl acetate 81.48
    tert-butyl acetate 116.01
    decalin 14.36
    glycerin 16.78
    diglyme 269.04
    acrylic acid 67.16
    isopropyl myristate 34.72
    n-butyric acid 98.42
    acetyl acetate 138.89
    di(2-ethylhexyl) phthalate 41.25
    ethyl propionate 105.79
    nitromethane 318.33
    1,2-diethoxyethane 107.51
    benzonitrile 82.73
    trioctyl phosphate 26.48
    1-bromopropane 111.89
    gamma-valerolactone 472.74
    n-decanol 14.17
    triethyl phosphate 77.65
    4-methyl-2-pentanol 11.66
    propionitrile 43.94
    vinylene carbonate 194.97
    1,1,2-trichlorotrifluoroethane 330.63
    DMS 106.86
    cumene 26.72
    2-octanol 15.54
    2-hexanone 87.09
    octyl acetate 47.69
    limonene 41.63
    1,2-dimethoxyethane 160.21
    ethyl orthosilicate 70.85
    tributyl phosphate 41.26
    diacetone alcohol 97.72
    N,N-dimethylaniline 65.21
    acrylonitrile 66.63
    aniline 63.39
    1,3-propanediol 14.81
    bromobenzene 165.25
    dibromomethane 334.65
    1,1,2,2-tetrachloroethane 603.97
    2-methyl-cyclohexyl acetate 85.21
    tetrabutyl urea 65.97
    diisobutyl methanol 13.98
    2-phenylethanol 37.03
    styrene 50.58
    dioctyl adipate 81.66
    dimethyl sulfate 180.01
    ethyl butyrate 97.63
    methyl lactate 48.78
    butyl lactate 78.87
    diethyl carbonate 70.08
    propanediol butyl ether 46.81
    triethyl orthoformate 83.96
    p-tert-butyltoluene 23.52
    methyl 4-tert-butylbenzoate 125.37
    morpholine 148.94
    tert-butylamine 15.67
    n-dodecanol 10.08
    dimethoxymethane 87.58
    ethylene carbonate 161.16
    cyrene 121.01
    2-ethoxyethyl acetate 171.39
    2-ethylhexyl acetate 69.41
    1,2,4-trichlorobenzene 239.92
    4-methylpyridine 175.27
    dibutyl ether 50.03
    2,6-dimethyl-4-heptanol 13.98
    DEF 185.66
    dimethyl isosorbide 198.6
    tetrachloroethylene 420.66
    eugenol 91.78
    triacetin 202.38
    span 80 66.33
    1,4-butanediol 9.62
    1,1-dichloroethane 223.03
    2-methyl-1-pentanol 23.6
    methyl formate 61.6
    2-methyl-1-butanol 21.26
    n-decane 5.23
    butyronitrile 38.06
    3,7-dimethyl-1-octanol 22.56
    1-chlorooctane 28.89
    1-chlorotetradecane 9.36
    n-nonane 4.8
    undecane 3.37
    tert-butylcyclohexane 8.2
    cyclooctane 8.96
    cyclopentanol 59.0
    tetrahydropyran 137.07
    tert-amyl methyl ether 57.59
    2,5,8-trioxanonane 165.0
    1-hexene 17.12
    2-isopropoxyethanol 47.05
    2,2,2-trifluoroethanol 85.3
    methyl butyrate 144.91

    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