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3-iso-Propylphenol-[d12]

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General Information
Catalog: BLP-010477
CAS: 1219805-35-2
Molecular Formula: C9D12O
Molecular Weight: 148.27

Chemical Structure

Description	3-iso-Propylphenol-[d12] is the labelled analogue of 3-iso-Propylphenol, which is an impurity of Propofol.
Synonyms	3-iso-Propylphenol-d12; 3-(1-Methylethyl)phenol-d12; m-Isopropylphenol-d12; NSC 2209-d12; m-Cumenol-d12; 3-Hydroxycumene-d12; Propofol EP Impurity F-d12
IUPAC Name	1,2,3,5-tetradeuterio-4-deuteriooxy-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene
Related CAS	618-45-1 (unlabelled)
Canonical SMILES	CC(C)C1=CC(=CC=C1)O
InChI	InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D/hD
InChI Key	VLJSLTNSFSOYQR-SRQDVOKDSA-N
Purity	99% by HPLC; 99% atom D
Solubility	Slightly soluble in Chloroform, Ethyl Acetate; Very slightly soluble in Methanol
Appearance	Colorless to Dark Brown Oil to Sticky Solid
Storage	Store at 2-8°C under inert atmosphere