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Butyl Paraben-[13C6]

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General Information
Catalog: BLP-008508
CAS: 1416711-53-9
Molecular Formula: C5[13C]6H14O3
Molecular Weight: 200.18

Chemical Structure

Description	Butyl Paraben-[13C6] is a labelled analogue of Butyl Paraben, an antimicrobial agent used in cosmetic products.
Synonyms	4-Hydroxybenzoic Acid-13C6 Butyl Ester; 4-(Butoxy-carbonyl)phenol-13C6; Aseptoform-13C6 Butyl; Butoben-13C6; Butyl 4-Hydroxybenzoate-13C6; Butyl Butex-13C6; Butyl Tegosept-13C6; Butyl Chemosept-13C6; n-Butylparaben-13C6
IUPAC Name	butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
Related CAS	94-26-8 (unlabelled)
Isomeric SMILES	CCCCOC(=O)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O
Canonical SMILES	CCCCOC(=O)C1=CC=C(C=C1)O
InChI	InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3/i4+1,5+1,6+1,7+1,9+1,10+1
InChI Key	QFOHBWFCKVYLES-PXKSRZEUSA-N
Melting Point	68-71°C
Purity	98% by CP; 99% atom 13C
Solubility	Slightly soluble in Chloroform, DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C