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  • Bis(2-ethylhexyl) adipate

    Catalog Number
    ACM103231-4
    CAS Number
    103-23-1
    Product Name
    Bis(2-ethylhexyl) adipate
    Category
    Plastic Additives; Plasticizers
    Synonyms
    Adipic acid di(2-ethylhexyl) ester, DOA
    Description
    Bis(2-ethylhexyl) adipate is a colorless to straw-colored liquid with a mild odor. Floats on water. (USCG, 1999);Liquid; PelletsLargeCrystals; WetSolid;Liquid;COLOURLESS-TO-YELLOW LIQUID.;Clear colourless liquid; Slight fatty aroma
    IUPAC Name
    bis(2-ethylhexyl) hexanedioate
    Molecular Weight
    370.57
    Molecular Formula
    C22H42O4
    Canonical SMILES
    CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
    InChI
    InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
    InChI Key
    SAOKZLXYCUGLFA-UHFFFAOYSA-N
    Boiling Point
    175 °C
    Melting Point
    -67°C
    Flash Point
    196°C
    Purity
    98%
    Density
    0.928
    Solubility
    water, 0.78 mg/L @ 22 °C (exp)
    Appearance
    Colorless or light yellow oily liquid with special odour
    Application
    Bis(2-ethylhexyl) adipate, a colorless oily liquid also known as dioctyl adipate (DOA), serves the primary purpose of enhancing the impact properties of polymers by acting as a plasticizer. Its versatility is further demonstrated in the production of clear films for food packaging, where clarity and flexibility are crucial. Additionally, DOA finds use in the synthetic rubber industry, owing to its compatibility with nitrocellulose and ethylcellulose. As a diester formed from the formal condensation of adipic acid's carboxy groups with 2-ethylhexan-1-ol, it efficiently fulfills its role in preparing various polymeric materials.
    Assay
    0.98
    Color/Form
    COLORLESS OR VERY PALE AMBER LIQ;Light colored, oily liquid.
    Complexity
    320
    Covalently-Bonded Unit Count
    1
    EC Number
    203-090-1;615-074-5
    Exact Mass
    370.30831g/mol
    Formal Charge
    0
    Heat of Vaporization
    1.2542X10+8 J/kmol at -111.66 °C
    Heavy Atom Count
    26
    ICSC Number
    1292
    Log P
    8.1 (calculated)
    MDL Number
    MFCD00009496
    MeSH Entry Terms
    adipic acid, dioctyl ester;DEHA;DEHA compound;di-2-ethyl-hexyl adipate;diethylhexyl adipate;diethylhexyladipate;dioctyl adipate
    Monoisotopic Mass
    370.30831g/mol
    NSC Number
    56775
    Odor
    SLIGHT AROMATIC SMELL;Odorless;Mild
    Other Experimental
    Pour point: -75 °C;VAPOR PRESSURE: 2.4 MM HG @ 200 °C;Henry's Law constant= 4.34X10-7 atm-cu m/mole @ 20 °C;Wt/gal: 7.71 lb (20 °C)
    Packaging
    1 kg
    Refractive Index
    1.446-1.448
    Rotatable Bond Count
    19
    RTECS Number
    AU9700000
    Stability
    Stable. Incompatible with oxidizing agents, water, nitrates.
    Storage Conditions
    2-8°C
    UNII
    MBY1SL921L
    UN Number
    3082
    Vapor Density
    12.8 (NTP, 1992) (Relative to Air);12.8 (Air= 1);Relative vapor density (air = 1): 12.8
    Vapor Pressure
    less than 0.01 mm Hg at 68 °F ; 2.6 mm Hg at 392° F (NTP, 1992);8.50e-07 mmHg;8.5X10-7 mm Hg at 20 °C;Vapor pressure, kPa at 20 °C: 0.11
    Viscosity
    13.7 cP @ 20 °C;12.4 mm2/s at 25 °C
    XLogP3
    6.8
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