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CAS 108-63-4

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1,6-Bis(1-methylheptyl) hexanedioate

Description:
1,6-Bis(1-methylheptyl) hexanedioate, with the CAS number 108-63-4, is an ester compound characterized by its structure, which includes a hexanedioate backbone with two 1-methylheptyl groups attached at the 1 and 6 positions. This compound is typically a colorless to pale yellow liquid and is known for its relatively low volatility and high boiling point, making it suitable for various applications in the chemical industry. It exhibits good thermal stability and is often used as a plasticizer, enhancing the flexibility and durability of polymers. Additionally, it has moderate solubility in organic solvents, which allows it to be utilized in formulations requiring compatibility with other organic materials. The presence of ester functional groups contributes to its reactivity, enabling it to participate in various chemical reactions, including hydrolysis and transesterification. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes. Overall, 1,6-Bis(1-methylheptyl) hexanedioate is a versatile compound with significant industrial relevance.
Formula:C22H42O4
InChI:InChI=1S/C22H42O4/c1-5-7-9-11-15-19(3)25-21(23)17-13-14-18-22(24)26-20(4)16-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChI key:InChIKey=RTUMJAGKSDIHOW-UHFFFAOYSA-N
SMILES:O(C(CCCCC(OC(CCCCCC)C)=O)=O)C(CCCCCC)C
Synonyms:
  • 1,6-Bis(1-methylheptyl) hexanedioate
  • Adipic acid, bis(1-methylheptyl) ester
  • Adipic acid, bis(1-methylheptyl) ester (8CI)
  • Bis(1-methylheptyl) adipate
  • Dioctan-2-Yl Hexanedioate
  • Hexanedioic acid, 1,6-bis(1-methylheptyl) ester
  • Hexanedioic acid, bis(1-methylheptyl) ester
  • Nsc 6197
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