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Pentanoic acid (D9)

Catalog Number ACM115871506-1
CAS 115871-50-6
Structure Structure
Synonyms Valeric acid-D9; 2,2,3,3,4,4,5,5,5-Nonadeuteriopentanoic acid
IUPAC Name 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoic acid
Molecular Weight 111.19
Molecular Formula C5HD9O2
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1D3,2D2,3D2,4D2
InChI Key NQPDZGIKBAWPEJ-YNSOAAEFSA-N
Boiling Point 185 °C (365 °F) (lit.)
Melting Point -20--18 °C (lit.)
Flash Point 96 °C (205 °F)-closed cup
Purity 98%
Density 0.939 g/mL at 25 °C (77 °F)
Appearance Colourless clear liquid
Chemical Formula CD3(CD2)3COOH
Isomeric SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
Isotopic Enrichment 98 atom % D
pH 2.7 at 40 g/L at 20 °C (68 °F)
Unlabeled CAS 109-52-4
Unlabeled Synonyms Pentanoic acid; n-Valeric acid
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