Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester

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  • Identifiers

    CAS number
    41710-01-4

    Molecular formula
    C16H30O5

    SMILES
    CCCCCC(=O)OCCOCCOC(=O)CCCCC

  • Odor profile

    Fragrance
    Fruity 82.64%
    Winey 53.74%
    Fatty 50.92%
    Oily 50.39%
    Green 48.07%
    Sweet 41.71%
    Waxy 37.85%
    Pineapple 37.42%
    Fermented 34.58%
    Buttery 33.23%

     

    Flavor
    Fruity 78.68%
    Waxy 56.76%
    Sweet 55.12%
    Pineapple 51.38%
    Green 49.02%
    Apple 46.89%
    Fruit 45.5%
    Tropical 43.49%
    Wine 42.46%
    Pear 39.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.17 (neutral)

    Molecular weight
    302.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 161.16 ˚C est.

  • Synonyms

    • Diethylene glycol dihexanoate
    • Diethylene glycol, bis(caproate)
    • 41710-01-4
    • EINECS 255-509-2
    • Hexanoic acid, oxydi-2,1-ethanediyl ester
    • Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester
    • Oxydiethylene hexanoate
    • SCHEMBL6406448
    • CHEMBL2268856
    • DTXSID80866060
    • XSTGQVSZAOQMPN-UHFFFAOYSA-N
    • Oxydi(ethane-2,1-diyl) dihexanoate
    • Oxybis(ethane-2,1-diyl) dihexanoate

  • Applications

    Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester (CAS 41710-01-4) is used in practice as a diester plasticizer and processing aid for polymers and coatings, improving flexibility in PVC and other resins; it can serve as a solvent or co-solvent in resin formulations; it acts as an intermediate in the production of ester-based additives and specialty lubricants; it is employed in adhesive formulations to enhance compatibility and tack; and as a component in lubricant formulations and as a processing solvent in coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 143.79
    methanol 311.94
    isopropanol 103.56
    water 0.94
    ethyl acetate 488.15
    n-propanol 112.67
    acetone 579.86
    n-butanol 96.94
    acetonitrile 362.2
    DMF 646.96
    toluene 253.72
    isobutanol 99.1
    1,4-dioxane 530.85
    methyl acetate 411.62
    THF 913.01
    2-butanone 414.24
    n-pentanol 92.57
    sec-butanol 105.1
    n-hexane 17.67
    ethylene glycol 24.8
    NMP 1326.76
    cyclohexane 88.57
    DMSO 1203.27
    n-butyl acetate 263.25
    n-octanol 55.79
    chloroform 1460.65
    n-propyl acetate 332.0
    acetic acid 639.63
    dichloromethane 1824.21
    cyclohexanone 1094.92
    propylene glycol 32.53
    isopropyl acetate 326.67
    DMAc 1073.68
    2-ethoxyethanol 243.52
    isopentanol 110.38
    n-heptane 11.52
    ethyl formate 254.42
    1,2-dichloroethane 1142.6
    n-hexanol 60.57
    2-methoxyethanol 336.1
    isobutyl acetate 183.05
    tetrachloromethane 204.56
    n-pentyl acetate 251.72
    transcutol 930.29
    n-heptanol 48.52
    ethylbenzene 112.75
    MIBK 219.17
    2-propoxyethanol 187.64
    tert-butanol 169.13
    MTBE 192.64
    2-butoxyethanol 160.9
    propionic acid 273.3
    o-xylene 184.57
    formic acid 211.0
    diethyl ether 187.45
    m-xylene 145.13
    p-xylene 190.17
    chlorobenzene 452.89
    dimethyl carbonate 162.2
    n-octane 7.1
    formamide 402.63
    cyclopentanone 1009.25
    2-pentanone 345.94
    anisole 235.8
    cyclopentyl methyl ether 438.7
    gamma-butyrolactone 1261.51
    1-methoxy-2-propanol 220.81
    pyridine 708.6
    3-pentanone 338.76
    furfural 1022.22
    n-dodecane 6.0
    diethylene glycol 143.38
    diisopropyl ether 62.98
    tert-amyl alcohol 162.97
    acetylacetone 628.18
    n-hexadecane 7.04
    acetophenone 362.09
    methyl propionate 353.64
    isopentyl acetate 239.07
    trichloroethylene 1998.55
    n-nonanol 55.15
    cyclohexanol 246.15
    benzyl alcohol 188.46
    2-ethylhexanol 59.5
    isooctanol 47.19
    dipropyl ether 101.54
    1,2-dichlorobenzene 478.28
    ethyl lactate 134.83
    propylene carbonate 613.6
    n-methylformamide 315.82
    2-pentanol 72.84
    n-pentane 13.27
    1-propoxy-2-propanol 139.98
    1-methoxy-2-propyl acetate 258.75
    2-(2-methoxypropoxy) propanol 181.92
    mesitylene 97.79
    ε-caprolactone 869.64
    p-cymene 66.77
    epichlorohydrin 1198.82
    1,1,1-trichloroethane 921.73
    2-aminoethanol 67.13
    morpholine-4-carbaldehyde 822.6
    sulfolane 1601.31
    2,2,4-trimethylpentane 14.09
    2-methyltetrahydrofuran 647.72
    n-hexyl acetate 259.81
    isooctane 6.69
    2-(2-butoxyethoxy)ethanol 228.1
    sec-butyl acetate 225.2
    tert-butyl acetate 334.78
    decalin 35.92
    glycerin 73.17
    diglyme 616.25
    acrylic acid 259.08
    isopropyl myristate 82.0
    n-butyric acid 407.75
    acetyl acetate 473.77
    di(2-ethylhexyl) phthalate 96.17
    ethyl propionate 322.84
    nitromethane 1214.91
    1,2-diethoxyethane 310.37
    benzonitrile 304.81
    trioctyl phosphate 61.72
    1-bromopropane 395.66
    gamma-valerolactone 1273.46
    n-decanol 36.08
    triethyl phosphate 146.67
    4-methyl-2-pentanol 50.05
    propionitrile 225.77
    vinylene carbonate 572.27
    1,1,2-trichlorotrifluoroethane 780.93
    DMS 268.43
    cumene 74.99
    2-octanol 39.87
    2-hexanone 257.39
    octyl acetate 105.95
    limonene 105.62
    1,2-dimethoxyethane 525.0
    ethyl orthosilicate 133.49
    tributyl phosphate 98.13
    diacetone alcohol 276.58
    N,N-dimethylaniline 168.33
    acrylonitrile 317.62
    aniline 254.97
    1,3-propanediol 112.09
    bromobenzene 531.96
    dibromomethane 1026.89
    1,1,2,2-tetrachloroethane 1501.02
    2-methyl-cyclohexyl acetate 200.33
    tetrabutyl urea 134.9
    diisobutyl methanol 42.14
    2-phenylethanol 129.4
    styrene 161.51
    dioctyl adipate 174.5
    dimethyl sulfate 368.13
    ethyl butyrate 244.26
    methyl lactate 151.3
    butyl lactate 170.09
    diethyl carbonate 176.15
    propanediol butyl ether 129.67
    triethyl orthoformate 166.89
    p-tert-butyltoluene 59.37
    methyl 4-tert-butylbenzoate 250.76
    morpholine 634.35
    tert-butylamine 105.27
    n-dodecanol 26.97
    dimethoxymethane 353.21
    ethylene carbonate 489.84
    cyrene 251.03
    2-ethoxyethyl acetate 343.57
    2-ethylhexyl acetate 200.41
    1,2,4-trichlorobenzene 571.32
    4-methylpyridine 671.09
    dibutyl ether 119.4
    2,6-dimethyl-4-heptanol 42.14
    DEF 536.84
    dimethyl isosorbide 414.26
    tetrachloroethylene 998.6
    eugenol 195.25
    triacetin 361.21
    span 80 162.56
    1,4-butanediol 53.71
    1,1-dichloroethane 806.63
    2-methyl-1-pentanol 106.65
    methyl formate 247.57
    2-methyl-1-butanol 109.55
    n-decane 10.56
    butyronitrile 203.89
    3,7-dimethyl-1-octanol 60.02
    1-chlorooctane 60.97
    1-chlorotetradecane 22.47
    n-nonane 9.76
    undecane 7.45
    tert-butylcyclohexane 21.65
    cyclooctane 20.61
    cyclopentanol 270.9
    tetrahydropyran 547.66
    tert-amyl methyl ether 174.26
    2,5,8-trioxanonane 379.17
    1-hexene 67.91
    2-isopropoxyethanol 167.54
    2,2,2-trifluoroethanol 269.72
    methyl butyrate 448.53

    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