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2, 6- Dimethyl- 4- tert- butylphenylacetic Acid

2, 6- Dimethyl- 4- tert- butylphenylacetic Acid - CAS 854646-92-7

Catalog:	BB066863
Product Name:	2, 6- Dimethyl- 4- tert- butylphenylacetic Acid
CAS:	854646-92-7
Synonyms:	Xylometazoline EP Impurity F

2, 6- Dimethyl- 4- tert- butylphenylacetic Acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(4-tert-butyl-2,6-dimethylphenyl)acetic acid
Description:	2,тАЛ6-тАЛDimethyl-тАЛ4-тАЛtert-тАЛbutylphenylacetic Acid is an impurity of Xylometazoline (X749950), a vasoconstrictor involved in signal transduction, also used as a nasal decongestant. May be used in treatments involving ischemic injury due to the ability to shift energy metabolism from mitochondrial to glycolysis (2).
Molecular Weight:	220.31
Molecular Formula:	C14H20O2
Canonical SMILES:	CC1=CC(=CC(=C1CC(=O)O)C)C(C)(C)C
InChI:	InChI=1S/C14H20O2/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H,15,16)
InChI Key:	FEGJTNSSKIPCOF-UHFFFAOYSA-N
Melting Point:	162-164°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White to Brown Solid
Storage:	-20°C
References:	1. Fliri, A. et al. J. Med. Chem. 2009 Dec 24;52(24):8038-46.2. Gohil, V. et al. Nat Biotechnol. 2010 Mar;28(3):249-55..

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