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Ethyl Caproate-[d5]

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General Information
Catalog: BLP-005399
CAS: 1082581-90-5
Molecular Formula: C8H11D5O2
Molecular Weight: 149.24

Chemical Structure

Synonyms	Hexanoic Acid Ethyl-1,1,2,2,2-d5 Ester; Ethyl-d5 Caproate
IUPAC Name	1,1,2,2,2-pentadeuterioethyl hexanoate
Related CAS	123-66-0 (unlabelled)
Canonical SMILES	CCCCCC(=O)OCC
InChI	InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3/i2D3,4D2
InChI Key	SHZIWNPUGXLXDT-PVGOWFQYSA-N
Boiling Point	167.9±3.0°C at 760 mmHg
Purity	98% by CP; 97% atom D
Storage	Store at 2-8°C