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Isophorone-2,4,4,6,6-[d5]

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General Information
Catalog: BLP-000682
CAS: 1262769-87-8
Molecular Formula: C9H9D5O
Molecular Weight: 143.24

Chemical Structure

Description	Isophorone-2,4,4,6,6-[d5] is the labelled analogue of Isophorone. Isophorone appears as a clear colorless liquid. It is used as a solvent and in pesticides.
Synonyms	3,5,5-Trimethyl-2-cyclohexen-1-one-2,4,4,6,6-d5; Isophorone-2,4,4,6,6-d5; DTXSID30746424; 3,5,5-Trimethyl(2H5)cyclohex-2-en-1-one
IUPAC Name	2,4,4,6,6-pentadeuterio-3,5,5-trimethylcyclohex-2-en-1-one
Related CAS	78-59-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(C(C(C1=O)([2H])[2H])(C)C)([2H])[2H])C
Canonical SMILES	CC1=CC(=O)CC(C1)(C)C
InChI	InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i4D,5D2,6D2
InChI Key	HJOVHMDZYOCNQW-FIFBNPHPSA-N
Boiling Point	213-214 °C
Melting Point	-8 °C
Purity	95% (CP); 97% atom D
Density	0.956 g/mL at 25 °C
Storage	−20 °C