201612-61-5

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201612-61-5 Structure

Identification	Back Directory
[Name] SODIUM OCTANOATE-1-13C
[CAS] 201612-61-5
[Synonyms] Sodium Octoate-1-13C Sodium Octanoate-13C Sodium caprylate-1-13C SODIUM OCTANOATE-1-13C 13C Labeled sodium octanoate octanoic acid-1-13c sodium salt Octanoic-1-13C acid sodium salt SODIUM OCTANOATE-1-13C, 99 ATOM % 13C Octanoic-1-¹³C acid sodium salt
[Molecular Formula] C8H15NaO2
[MDL Number] MFCD00084072
[MOL File] 201612-61-5.mol
[Molecular Weight] 167.2

Chemical Properties	Back Directory
[Melting point ] >300 °C(lit.)
[storage temp. ] Store at -20°C
[form ] solid
[InChI] 1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1/i8+1;
[InChIKey] BYKRNSHANADUFY-IYWRZBIASA-M
[SMILES] [Na+].CCCCCCC[13C]([O-])=O
[CAS Number Unlabeled] 01/06/1984

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H412
[Precautionary statements ] P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
[WGK Germany ] 3
[HS Code ] 28459000
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2

Hazard Information	Back Directory
[Chemical Properties] Solid
[Uses] Octanoate-13C (sodium) is a 13C-labeled Fmoc-Gly-OH[1].
[References] [1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223. DOI:10.1080/02688697.2018.1500521

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