Bis(tetrahydrofurfuryl) sebacate

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  • Identifiers

    CAS number
    4650-79-7

    Molecular formula
    C20H34O6

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 51.47%
    Fruity 48.91%
    Oily 46.42%
    Peach 39.74%
    Buttery 38.78%
    Sweet 36.57%
    Creamy 28.32%
    Lactonic 27.78%
    Waxy 26.73%
    Winey 25.88%

     

    Flavor
    Fruity 60.34%
    Waxy 48.35%
    Oily 44.09%
    Fatty 43.51%
    Creamy 35.37%
    Pineapple 34.52%
    Tropical 34.34%
    Fruit 33.37%
    Cheese 31.56%
    Sweet 31.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.31 (neutral)

    Molecular weight
    370.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    462°C

    Flash point

    • 195.82 ˚C est.

  • Synonyms

    • 4650-79-7
    • Bis(tetrahydrofurfuryl) sebacate
    • Bis((tetrahydrofuran-2-yl)methyl) decanedioate
    • bis(oxolan-2-ylmethyl) decanedioate
    • EINECS 225-080-6
    • NSC24328
    • Ditetrahydrofurfurylsebacat
    • SCHEMBL1065271
    • Decanedioic acid, bis[(tetrahydro-2-furanyl)methyl] ester
    • DTXSID40963600
    • NSC 24328
    • NSC-24328
    • Bis[(oxolan-2-yl)methyl] decanedioate
    • Sebacic acid, di(tetrahydrofurfuryl) ester
    • NS00047352
    • 4650-79-7

  • Applications

    Bis(tetrahydrofurfuryl) sebacate (CAS 4650-79-7) is the diester of sebacic acid with two tetrahydrofuran groups, used primarily as a plasticizer and solvent in a range of formulations. In polymers/plastics, it is commonly employed as a plasticizer for PVC and for thermoplastics to enhance flexibility and processability. In coatings and inks, it functions as a plasticizing additive that improves film flexibility and smear resistance. In adhesives, it acts as a processing aid and solvent that facilitates dissolution of components and improves bond compatibility. In cosmetics and personal care, it is used as an emollient and solvent carrier in formulations for skin and hair care. In cleaning products, it may serve as a solvent or carrier to dissolve residues and adjust formulation viscosity. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.26
    methanol 29.38
    isopropanol 13.74
    water 0.27
    ethyl acetate 103.42
    n-propanol 17.73
    acetone 88.35
    n-butanol 18.4
    acetonitrile 61.77
    DMF 107.41
    toluene 52.92
    isobutanol 15.08
    1,4-dioxane 116.91
    methyl acetate 81.19
    THF 286.03
    2-butanone 87.74
    n-pentanol 21.98
    sec-butanol 19.03
    n-hexane 2.36
    ethylene glycol 3.87
    NMP 274.78
    cyclohexane 10.25
    DMSO 240.78
    n-butyl acetate 67.18
    n-octanol 22.34
    chloroform 718.92
    n-propyl acetate 90.17
    acetic acid 138.75
    dichloromethane 741.06
    cyclohexanone 233.75
    propylene glycol 6.57
    isopropyl acetate 83.51
    DMAc 312.85
    2-ethoxyethanol 81.34
    isopentanol 24.39
    n-heptane 2.07
    ethyl formate 61.99
    1,2-dichloroethane 307.49
    n-hexanol 14.9
    2-methoxyethanol 73.66
    isobutyl acetate 55.49
    tetrachloromethane 59.69
    n-pentyl acetate 82.02
    transcutol 391.62
    n-heptanol 16.55
    ethylbenzene 30.5
    MIBK 57.92
    2-propoxyethanol 64.4
    tert-butanol 24.48
    MTBE 34.19
    2-butoxyethanol 71.39
    propionic acid 56.33
    o-xylene 41.44
    formic acid 51.59
    diethyl ether 29.9
    m-xylene 32.12
    p-xylene 45.78
    chlorobenzene 124.9
    dimethyl carbonate 44.34
    n-octane 1.59
    formamide 92.51
    cyclopentanone 247.12
    2-pentanone 74.86
    anisole 75.67
    cyclopentyl methyl ether 94.99
    gamma-butyrolactone 341.37
    1-methoxy-2-propanol 59.97
    pyridine 187.57
    3-pentanone 68.62
    furfural 323.45
    n-dodecane 1.83
    diethylene glycol 38.91
    diisopropyl ether 13.62
    tert-amyl alcohol 30.3
    acetylacetone 162.2
    n-hexadecane 2.19
    acetophenone 118.68
    methyl propionate 72.1
    isopentyl acetate 67.65
    trichloroethylene 691.8
    n-nonanol 24.15
    cyclohexanol 41.87
    benzyl alcohol 59.72
    2-ethylhexanol 16.0
    isooctanol 16.73
    dipropyl ether 23.44
    1,2-dichlorobenzene 155.55
    ethyl lactate 51.64
    propylene carbonate 200.79
    n-methylformamide 55.81
    2-pentanol 14.59
    n-pentane 1.55
    1-propoxy-2-propanol 50.05
    1-methoxy-2-propyl acetate 86.37
    2-(2-methoxypropoxy) propanol 90.79
    mesitylene 20.68
    ε-caprolactone 233.69
    p-cymene 18.75
    epichlorohydrin 395.07
    1,1,1-trichloroethane 264.35
    2-aminoethanol 11.99
    morpholine-4-carbaldehyde 229.71
    sulfolane 412.17
    2,2,4-trimethylpentane 2.67
    2-methyltetrahydrofuran 158.26
    n-hexyl acetate 93.93
    isooctane 1.35
    2-(2-butoxyethoxy)ethanol 117.04
    sec-butyl acetate 70.75
    tert-butyl acetate 81.62
    decalin 6.75
    glycerin 20.63
    diglyme 284.74
    acrylic acid 59.56
    isopropyl myristate 31.27
    n-butyric acid 97.05
    acetyl acetate 122.25
    di(2-ethylhexyl) phthalate 39.97
    ethyl propionate 79.83
    nitromethane 278.95
    1,2-diethoxyethane 88.1
    benzonitrile 90.18
    trioctyl phosphate 23.08
    1-bromopropane 96.17
    gamma-valerolactone 364.48
    n-decanol 15.86
    triethyl phosphate 53.17
    4-methyl-2-pentanol 14.39
    propionitrile 40.51
    vinylene carbonate 176.58
    1,1,2-trichlorotrifluoroethane 307.12
    DMS 73.36
    cumene 20.09
    2-octanol 13.43
    2-hexanone 71.6
    octyl acetate 42.85
    limonene 25.64
    1,2-dimethoxyethane 156.91
    ethyl orthosilicate 48.89
    tributyl phosphate 35.34
    diacetone alcohol 80.34
    N,N-dimethylaniline 52.95
    acrylonitrile 62.74
    aniline 60.36
    1,3-propanediol 21.57
    bromobenzene 147.31
    dibromomethane 355.25
    1,1,2,2-tetrachloroethane 535.63
    2-methyl-cyclohexyl acetate 64.41
    tetrabutyl urea 49.36
    diisobutyl methanol 11.91
    2-phenylethanol 45.13
    styrene 41.52
    dioctyl adipate 63.76
    dimethyl sulfate 115.72
    ethyl butyrate 70.02
    methyl lactate 46.91
    butyl lactate 63.76
    diethyl carbonate 51.78
    propanediol butyl ether 55.12
    triethyl orthoformate 61.35
    p-tert-butyltoluene 16.12
    methyl 4-tert-butylbenzoate 106.04
    morpholine 149.59
    tert-butylamine 14.22
    n-dodecanol 11.29
    dimethoxymethane 77.18
    ethylene carbonate 145.16
    cyrene 111.9
    2-ethoxyethyl acetate 123.71
    2-ethylhexyl acetate 54.33
    1,2,4-trichlorobenzene 195.11
    4-methylpyridine 156.6
    dibutyl ether 39.17
    2,6-dimethyl-4-heptanol 11.91
    DEF 120.36
    dimethyl isosorbide 183.64
    tetrachloroethylene 321.87
    eugenol 91.19
    triacetin 151.84
    span 80 67.38
    1,4-butanediol 12.95
    1,1-dichloroethane 217.32
    2-methyl-1-pentanol 28.09
    methyl formate 45.92
    2-methyl-1-butanol 23.59
    n-decane 3.51
    butyronitrile 40.77
    3,7-dimethyl-1-octanol 23.87
    1-chlorooctane 22.06
    1-chlorotetradecane 7.64
    n-nonane 2.82
    undecane 2.4
    tert-butylcyclohexane 3.95
    cyclooctane 3.38
    cyclopentanol 50.1
    tetrahydropyran 115.89
    tert-amyl methyl ether 37.2
    2,5,8-trioxanonane 176.16
    1-hexene 11.26
    2-isopropoxyethanol 60.56
    2,2,2-trifluoroethanol 84.29
    methyl butyrate 116.36

    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