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CAS 3478-44-2

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Benzoic acid, 2-[3-(hexyloxy)-2-hydroxypropoxy]-, sodium salt (1:1)

Description:
Benzoic acid, 2-[3-(hexyloxy)-2-hydroxypropoxy]-, sodium salt (1:1), with CAS number 3478-44-2, is a sodium salt derivative of benzoic acid. This compound features a benzoic acid moiety substituted with a hexyloxy group and a hydroxypropoxy group, which contributes to its amphiphilic nature, allowing it to interact with both hydrophilic and hydrophobic environments. It typically appears as a white to off-white solid and is soluble in water due to the presence of the sodium ion and hydroxyl groups. The compound may exhibit surfactant properties, making it useful in various applications, including pharmaceuticals, cosmetics, and as a food preservative. Its structure suggests potential biological activity, and it may be involved in various chemical reactions, including esterification and complexation. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C16H24O5·Na
InChI:InChI=1S/C16H24O5.Na/c1-2-3-4-7-10-20-11-13(17)12-21-15-9-6-5-8-14(15)16(18)19;/h5-6,8-9,13,17H,2-4,7,10-12H2,1H3,(H,18,19);
InChI key:InChIKey=MSQVXPYGLOCTMD-UHFFFAOYSA-N
SMILES:O(CC(COCCCCCC)O)C1=C(C(O)=O)C=CC=C1.[Na]
Synonyms:
  • Benzoic acid, o-[3-(hexyloxy)-2-hydroxypropoxy]-, sodium salt
  • Sodium o-(2-hydroxy-3-hexyloxypropoxy)benzoate
  • Benzoic acid, 2-[3-(hexyloxy)-2-hydroxypropoxy]-, monosodium salt
  • Benzoic acid, 2-[3-(hexyloxy)-2-hydroxypropoxy]-, sodium salt (1:1)
  • Benzoic acid, o-[3-(hexyloxy)-2-hydroxypropoxy]-, monosodium salt
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