Sodium 6-Hydroxycaproate - CAS 5299-61-6

Catalog: BB076659
Product Name: Sodium 6-Hydroxycaproate
CAS: 5299-61-6
Synonyms: 6-Hydroxyhexanoic Acid Sodium Salt; Sodium 6-Hydroxyhexanoate
Sodium 6-Hydroxycaproate
IUPAC Name:sodium6-hydroxyhexanoate
Description:Sodium 6-Hydroxycaproate is an intermediate in the synthesis of Mono-5-carboxy-n-pentyl-phthalate (M525495), which is a metabolite of Dibutyl phthalate (DBP) (D429495), which is widely used in consumer products.
Molecular Weight:154.14
Molecular Formula:C6H11NaO3
Canonical SMILES:C(CCC(=O)[O-])CCO.[Na+]
InChI:InChI=1S/C6H12O3.Na/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)/q+1/p-1
InChI Key:SCHJIKPVOOCORF-UHFFFAOYSA-M
Melting Point:182-184°C
Solubility:Methanol (Slightly), Water (Slightly)
Appearance:White to Off-White Solid
Storage:-20°C, Inert atmosphere
References:Silva, M., et al. Arch. Toxicol., 77, 561 (2003), Silva, M., et al. Toxicology, 210, 123 (2005), Silva, M., et al. J. Anal. Toxicol., 29, 819, (2005),.

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