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1,4-Butanediol-[13C4]

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General Information
Catalog: BLP-005576
CAS: 286012-95-1
Molecular Formula: [13C]4H10O2
Molecular Weight: 94.09

Chemical Structure

Description	1,4-Butanediol-[13C4] 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.
IUPAC Name	(1,2,3,4-13C4)butane-1,4-diol
Related CAS	110-63-4 (unlabelled)
Isomeric SMILES	[13CH2]([13CH2][13CH2]O)[13CH2]O
Canonical SMILES	C(CCO)CO
InChI	InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1+1,2+1,3+1,4+1
InChI Key	WERYXYBDKMZEQL-JCDJMFQYSA-N
Boiling Point	230°C
Melting Point	16°C
Purity	99% by CP; 99% atom 13C
Density	1.061 g/mL at 25°C
Appearance	Liquid