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Ethylbenzene-[ethyl-d5]

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General Information
Catalog: BLP-011154
CAS: 38729-11-2
Molecular Formula: C8H5D5O
Molecular Weight: 111.20

Chemical Structure

Description	Ethylbenzene-[ethyl-d5] is the labelled analogue of Ethylbenzene. Ethylbenzene belongs to the class of organic compounds known as benzene and substituted derivatives. It is found in natural products such as coal tar and petroleum and is also found in manufactured products such as inks, insecticides, and paints. Ethylbenzene is used primarily to make another chemical, styrene. Other uses include being as a solvent, in fuels, and to make other chemicals.
Synonyms	Ethyl-d5-benzene
IUPAC Name	1,1,2,2,2-pentadeuterioethylbenzene
Related CAS	100-41-4 (unlabelled)
Canonical SMILES	CCC1=CC=CC=C1
InChI	InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2
InChI Key	YNQLUTRBYVCPMQ-ZBJDZAJPSA-N
Boiling Point	136°C (lit.)
Purity	99% by CP; 98% atom D
Density	0.908 g/cm3 at 25°C