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Isohexanol-[d7]

General Information
Catalog: BLP-005833
CAS: 1246819-30-6
Molecular Formula: C6H7D7O
Molecular Weight: 109.22
Chemical Structure
Isohexanol-[d7]
Description Isohexanol-[d7] is a labelled analogue of Isohexanol. Isohexanol is used as a cosmetic compound with an antimicrobial effect especially deodorants.
Synonyms 4-Methyl-1-pentanol-d7; Anglamol 6085U-d7; NSC 91492-d7; iso-Hexanol-d7
IUPAC Name 4,5,5,5-tetradeuterio-4-(trideuteriomethyl)pentan-1-ol
Related CAS 626-89-1 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C([2H])(CCCO)C([2H])([2H])[2H]
Canonical SMILES CC(C)CCCO
InChI InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3/i1D3,2D3,6D
InChI Key PCWGTDULNUVNBN-NWOXSKRJSA-N
Purity 98% by CP; 98% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance Clear Colorless Oil
Storage Store at -20°C

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