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CAS 90388-05-9

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Heptanoic acid, mixed esters with benzoic acid and triethylene glycol

Description:
Heptanoic acid, mixed esters with benzoic acid and triethylene glycol, identified by CAS number 90388-05-9, is a complex chemical compound primarily used in various industrial applications, including as a plasticizer and in the formulation of personal care products. This substance is characterized by its ester functional groups, which contribute to its solubility in organic solvents and its relatively low volatility. The presence of heptanoic acid, a medium-chain fatty acid, imparts hydrophobic properties, while the incorporation of benzoic acid and triethylene glycol enhances its stability and compatibility with other materials. The compound typically exhibits a moderate viscosity and may have a mild, fatty odor. Its chemical structure allows for a range of applications, particularly in formulations requiring emulsification or improved texture. Safety data sheets indicate that, while generally considered safe for use in regulated applications, appropriate handling and safety measures should be observed to mitigate any potential health risks associated with exposure.
Formula:C7H14O2·C7H6O2·C6H14O4
InChI:InChI=1S/C7H6O2.C7H14O2.C6H14O4/c8-7(9)6-4-2-1-3-5-6;1-2-3-4-5-6-7(8)9;7-1-3-9-5-6-10-4-2-8/h1-5H,(H,8,9);2-6H2,1H3,(H,8,9);7-8H,1-6H2
InChI key:InChIKey=ZLFIEAFZHLMGRP-UHFFFAOYSA-N
SMILES:C(COCCO)OCCO.C(CC(O)=O)CCCC.C(O)(=O)C1=CC=CC=C1
Synonyms:
  • Heptanoic acid, mixed esters with benzoic acid and triethylene glycol
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