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p-Cresol-[methyl-13C]

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General Information
Catalog: BLP-010050
CAS: 121474-53-1
Molecular Formula: C6[13C]H8O
Molecular Weight: 109.13

Chemical Structure

Description	P-Cresol-[methyl-13C] is the labelled form of p-Cresol. p-Cresol is used in the synthesis of Bupranolol, a non-selective beta blocker.
Synonyms	4-Methyl-13C-phenol; p-Cresol-α-13C; Phenol-4-(methyl-13C)
IUPAC Name	4-(1-13C)methylphenol
Related CAS	106-44-5 (unlabelled)
Isomeric SMILES	[13CH3]C1=CC=C(C=C1)O
Canonical SMILES	CC1=CC=C(C=C1)O
InChI	InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3/i1+1
InChI Key	IWDCLRJOBJJRNH-OUBTZVSYSA-N
Boiling Point	202°C (lit.)
Melting Point	32-34°C (lit.)
Purity	99% by CP; 99% atom 13C
Density	1.043 g/mL at 25°C
Storage	Store at RT