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4-n-Octylphenol-[d17]

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General Information
Catalog: BLP-010620
CAS: 1219794-55-4
Molecular Formula: C14H5D17O
Molecular Weight: 223.43

Chemical Structure

Description	4-n-Octylphenol-[d17] is the labelled analogue of 4-n-Octylphenol, which is a contaminant of emerging concern (CECs).
Synonyms	4-n-Octyl-d17-phenol; p-(n-Octyl)phenol-d17; p-Octylphenol-d17; 1-(p-Hydroxyphenyl)octane-d17
IUPAC Name	4-(octyl-d17)phenol
Related CAS	1806-26-4 (unlabelled) 58288-41-8 (unlabelled potassium) 78899-79-3 (unlabelled hydrochloride)
Canonical SMILES	CCCCCCCCC1=CC=C(C=C1)O
InChI	InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChI Key	NTDQQZYCCIDJRK-OISRNESJSA-N
Melting Point	40-41°C
Purity	≥98%; ≥97% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Pale Orange Low-melting Solid
Storage	Store at -20°C under inert atmosphere