Hexanedioic acid, 1,6-bis((tetrahydro-2-furanyl)methyl) ester

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  • Identifiers

    CAS number
    105-02-2

    Molecular formula
    C16H26O6

    SMILES
    C1CC(OC1)COC(=O)CCCCC(=O)OCC2CCCO2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 52.2%
    Fatty 49.12%
    Oily 47.41%
    Sweet 42.04%
    Buttery 40.2%
    Caramellic 35.84%
    Peach 31.48%
    Nutty 30.61%
    Winey 30.43%
    Creamy 29.48%

     

    Flavor
    Fruity 56.62%
    Fatty 39.62%
    Pineapple 35.9%
    Fruit 34.65%
    Oily 32.73%
    Cheese 32.03%
    Sweet 29.91%
    Waxy 28.17%
    Tropical 28.07%
    Creamy 27.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.14 (neutral)

    Molecular weight
    314.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    407°C

    Flash point

    • 188.33 ˚C est.

  • Synonyms

    • 105-02-2
    • Hexanedioic acid, bis[(tetrahydro-2-furanyl)methyl] ester
    • NSC 9362
    • EINECS 203-262-6
    • Adipic acid, bis(tetrahydrofurfuryl) ester
    • DTXSID60883295
    • Hexanedioic acid, bis((tetrahydro-2-furanyl)methyl) ester
    • Hexanedioic acid, 1,6-bis((tetrahydro-2-furanyl)methyl) ester
    • Hexanedioic acid, 1,6-bis[(tetrahydro-2-furanyl)methyl] ester
    • RefChem:146124
    • Adipic acid, bis(tetrahydrofurfuryl) ester (8CI)
    • DTXCID201022837
    • Bis(tetrahydrofurfuryl)adipate
    • Bis(tetrahydrofurfuryl) adipate
    • bis(oxolan-2-ylmethyl) hexanedioate
    • MLS002638086
    • ditetrahydrofurfuryl adipate
    • SCHEMBL1065164
    • CHEMBL1865720
    • NSC9362
    • DMNQTEVDCGAATA-UHFFFAOYSA-N
    • HMS3079J19
    • NSC-9362
    • Bis[(oxolan-2-yl)methyl] hexanedioate
    • SMR001547579
    • adipic acid bis-(tetrahydro-furfuryl) ester
    • DS-000352
    • bis(tetrahydro-2-furanylmethyl) hexanedioate
    • NS00041197
    • Hexanedioic acid,1,6-bis[(tetrahydro-2-furanyl)methyl] ester
    • 105-02-2

  • Applications

    Hexanedioic acid, 1,6-bis((tetrahydro-2-furanyl)methyl) ester (CAS 105-02-2) is primarily used as a plasticizer for PVC and other polymers, providing flexibility and improved low-temperature performance. It also serves as a processing aid in coatings, inks, and adhesives to improve flow and film formation. As a diester, it is used as an intermediate in the synthesis of specialty polymers and polyester resins, enabling desirable material properties and improved durability. In cosmetic and personal care formulations, it may be used as a solvent or carrier component, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.29
    methanol 59.78
    isopropanol 29.51
    water 0.76
    ethyl acetate 78.11
    n-propanol 29.37
    acetone 107.67
    n-butanol 27.25
    acetonitrile 100.97
    DMF 104.98
    toluene 38.17
    isobutanol 22.94
    1,4-dioxane 126.13
    methyl acetate 76.57
    THF 230.74
    2-butanone 80.18
    n-pentanol 33.01
    sec-butanol 29.26
    n-hexane 1.54
    ethylene glycol 7.09
    NMP 138.11
    cyclohexane 6.17
    DMSO 326.11
    n-butyl acetate 48.8
    n-octanol 23.95
    chloroform 619.81
    n-propyl acetate 68.57
    acetic acid 185.11
    dichloromethane 550.27
    cyclohexanone 153.14
    propylene glycol 11.13
    isopropyl acetate 57.28
    DMAc 248.8
    2-ethoxyethanol 105.22
    isopentanol 32.22
    n-heptane 1.3
    ethyl formate 71.24
    1,2-dichloroethane 217.72
    n-hexanol 20.33
    2-methoxyethanol 98.04
    isobutyl acetate 43.14
    tetrachloromethane 38.16
    n-pentyl acetate 44.26
    transcutol 252.04
    n-heptanol 17.15
    ethylbenzene 23.63
    MIBK 45.18
    2-propoxyethanol 69.96
    tert-butanol 39.23
    MTBE 29.92
    2-butoxyethanol 60.4
    propionic acid 61.36
    o-xylene 29.93
    formic acid 79.0
    diethyl ether 27.39
    m-xylene 22.74
    p-xylene 40.67
    chlorobenzene 91.05
    dimethyl carbonate 33.37
    n-octane 1.27
    formamide 126.46
    cyclopentanone 157.18
    2-pentanone 58.01
    anisole 59.44
    cyclopentyl methyl ether 51.24
    gamma-butyrolactone 219.09
    1-methoxy-2-propanol 70.65
    pyridine 178.9
    3-pentanone 47.65
    furfural 255.24
    n-dodecane 1.85
    diethylene glycol 51.76
    diisopropyl ether 8.72
    tert-amyl alcohol 36.51
    acetylacetone 114.37
    n-hexadecane 2.17
    acetophenone 89.84
    methyl propionate 53.62
    isopentyl acetate 48.84
    trichloroethylene 476.79
    n-nonanol 23.97
    cyclohexanol 40.35
    benzyl alcohol 67.0
    2-ethylhexanol 17.06
    isooctanol 15.98
    dipropyl ether 15.9
    1,2-dichlorobenzene 93.84
    ethyl lactate 44.6
    propylene carbonate 130.22
    n-methylformamide 64.63
    2-pentanol 18.03
    n-pentane 1.16
    1-propoxy-2-propanol 45.22
    1-methoxy-2-propyl acetate 59.07
    2-(2-methoxypropoxy) propanol 73.37
    mesitylene 14.34
    ε-caprolactone 147.21
    p-cymene 14.93
    epichlorohydrin 261.27
    1,1,1-trichloroethane 173.83
    2-aminoethanol 19.93
    morpholine-4-carbaldehyde 160.79
    sulfolane 223.59
    2,2,4-trimethylpentane 1.79
    2-methyltetrahydrofuran 104.24
    n-hexyl acetate 60.82
    isooctane 0.9
    2-(2-butoxyethoxy)ethanol 92.88
    sec-butyl acetate 47.9
    tert-butyl acetate 52.11
    decalin 4.44
    glycerin 28.54
    diglyme 190.95
    acrylic acid 64.09
    isopropyl myristate 24.31
    n-butyric acid 93.0
    acetyl acetate 86.93
    di(2-ethylhexyl) phthalate 34.22
    ethyl propionate 57.12
    nitromethane 297.02
    1,2-diethoxyethane 62.09
    benzonitrile 96.17
    trioctyl phosphate 20.09
    1-bromopropane 76.07
    gamma-valerolactone 237.61
    n-decanol 16.98
    triethyl phosphate 35.01
    4-methyl-2-pentanol 16.24
    propionitrile 56.55
    vinylene carbonate 130.8
    1,1,2-trichlorotrifluoroethane 213.18
    DMS 49.16
    cumene 17.19
    2-octanol 13.58
    2-hexanone 60.3
    octyl acetate 31.5
    limonene 18.01
    1,2-dimethoxyethane 164.22
    ethyl orthosilicate 31.58
    tributyl phosphate 28.95
    diacetone alcohol 62.4
    N,N-dimethylaniline 42.15
    acrylonitrile 87.29
    aniline 51.37
    1,3-propanediol 37.41
    bromobenzene 98.49
    dibromomethane 285.62
    1,1,2,2-tetrachloroethane 341.67
    2-methyl-cyclohexyl acetate 47.34
    tetrabutyl urea 39.58
    diisobutyl methanol 11.96
    2-phenylethanol 44.6
    styrene 33.12
    dioctyl adipate 46.64
    dimethyl sulfate 73.13
    ethyl butyrate 49.48
    methyl lactate 38.87
    butyl lactate 42.48
    diethyl carbonate 39.34
    propanediol butyl ether 51.75
    triethyl orthoformate 38.72
    p-tert-butyltoluene 12.12
    methyl 4-tert-butylbenzoate 68.51
    morpholine 144.39
    tert-butylamine 20.1
    n-dodecanol 12.74
    dimethoxymethane 73.59
    ethylene carbonate 107.01
    cyrene 87.39
    2-ethoxyethyl acetate 67.37
    2-ethylhexyl acetate 37.35
    1,2,4-trichlorobenzene 113.7
    4-methylpyridine 132.16
    dibutyl ether 28.49
    2,6-dimethyl-4-heptanol 11.96
    DEF 80.8
    dimethyl isosorbide 116.46
    tetrachloroethylene 204.46
    eugenol 66.67
    triacetin 89.34
    span 80 55.97
    1,4-butanediol 22.66
    1,1-dichloroethane 184.32
    2-methyl-1-pentanol 36.38
    methyl formate 54.52
    2-methyl-1-butanol 27.2
    n-decane 3.03
    butyronitrile 53.97
    3,7-dimethyl-1-octanol 24.68
    1-chlorooctane 16.97
    1-chlorotetradecane 7.17
    n-nonane 2.28
    undecane 2.25
    tert-butylcyclohexane 2.7
    cyclooctane 1.99
    cyclopentanol 44.08
    tetrahydropyran 97.29
    tert-amyl methyl ether 27.78
    2,5,8-trioxanonane 136.33
    1-hexene 10.12
    2-isopropoxyethanol 67.13
    2,2,2-trifluoroethanol 91.85
    methyl butyrate 85.69

    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