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Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

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4-tert-Octylphenol-[3,5-d2]

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General Information
Catalog: BLP-010633
CAS: 1173021-20-9
Molecular Formula: C14H20D2O
Molecular Weight: 208.34

Chemical Structure

Synonyms	4-tert-Octylphenol-3,5-D2; 4-(1,1,3,3-Tetramethylbutyl)phenol-d2; 4-(2,4,4-Trimethylpentan-2-yl)phenol-d2; NSC 5427-d2; NSC 7248-d2; 4-tert-OP-d2
IUPAC Name	3,5-dideuterio-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CAS	140-66-9 (unlabelled)
Isomeric SMILES	[2H]C1=CC(=CC(=C1C(C)(C)CC(C)(C)C)[2H])O
Canonical SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
InChI	InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3/i6D,7D
InChI Key	ISAVYTVYFVQUDY-QFIQSOQBSA-N
Purity	98%
Solubility	Soluble in Methanol, DMSO, Acetone
Appearance	White Solid
Application	A labelled environmental pollutant showing weak estrogenic effects. Has been shown to cause harm to the male reproductive system of vertebrates.
Storage	Store at 2-8°C