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Methyl Paraben-[13C6]

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General Information
Catalog: BLP-004726
CAS: 1581694-95-2
Molecular Formula: C2[13C]6H8O3
Molecular Weight: 158.10

Chemical Structure

Description	Methyl Paraben-[13C6] is the labelled analogue of Methylparaben, which is an excipient used as a preservative in foods, beverages and cosmetics.
Synonyms	Methyl Paraben-13C6; Methyl paraben-(ring-13C6); 4-Hydroxybenzoic Acid Methyl Ester-13C6; 4-(Carbomethoxy)phenol-13C6; 4-(Methoxycarbonyl)phenol-13C6; 4-Hydroxymethyl Benzoate-13C6; Killitol-13C6; Maseptol-13C6; Metaben-13C6; Metagin-13C6; Paridol-13C6; Preserval-13C6; Solbrol-13C6
IUPAC Name	methyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
Related CAS	99-76-3 (unlabelled)
Isomeric SMILES	COC(=O)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O
Canonical SMILES	COC(=O)C1=CC=C(C=C1)O
InChI	InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
InChI Key	LXCFILQKKLGQFO-WBJZHHNVSA-N
Melting Point	125-126°C
Purity	≥98%; ≥98% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Off-white Solid
Storage	Store at 2-8°C