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1,4-Butanediol-[d8]

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General Information
Catalog: BLP-010846
CAS: 74829-49-5
Molecular Formula: C4H2D8O2
Molecular Weight: 98.17

Chemical Structure

Description	1,4-Butanediol-[d8] is a 13C labelled analogue of 1,4-Butanediol. 1,4-Butanediol is used industrially as a solvent and in the manufacture of some types of plastics, elastic fibers and polyurethanes. 1,4-butanediol is used for the synthesis of γ-butyrolactone (GBL). In the presence of phosphoric acid and high temperature, it dehydrates to the important solvent tetrahydrofuran.
Synonyms	Butane-d8-diol
IUPAC Name	1,1,2,2,3,3,4,4-octadeuteriobutane-1,4-diol
Related CAS	110-63-4 (unlabelled)
Canonical SMILES	C(CCO)CO
InChI	InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D2,2D2,3D2,4D2
InChI Key	WERYXYBDKMZEQL-SVYQBANQSA-N
Boiling Point	230°C (lit.)
Melting Point	16°C (lit.)
Purity	99% by CP; 98% atom D
Density	1.108 g/cm3 at 25°C
Storage	Store at RT