N-OCTANE-D18 CAS 17252-77-6

Introduction：Basic information about N-OCTANE-D18 CAS 17252-77-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

N-OCTANE-D18 Basic information

• Product Name: N-OCTANE-D18
• Synonyms: octadecadeuterio-octane;octadecadeutero-octane;N-OCTANE-D18;OCTANE-D18;(2H18)octane;OCTANE-D18 98 PLUS ATOM % D;OCTANE-D18, 98+ ATOM % D;n-Octane-d18(Isotopic)
• CAS: 17252-77-6
• MF: C8D18
• MW: 132.34
• EINECS: 241-285-3
• Product Categories: Additional NMR Solvents;Aldrich High Purity NMR Solvents for Routine NMR;Alphabetical Listings;High Throughput NMR;Labware;NMR;NMR Solvents;NMR Solvents and Reagents;N-O;Routine NMR;Solvent by Application;Solvents;Solvents for High Throughput NMR;Spectroscopy Solvents (IR;Stable Isotopes;Tubes and Accessories;UV/Vis);NMR Solvents and Reagents;NMRStable Isotopes;N-OStable Isotopes;Stable Isotopes;Alphabetical Listings;NMR - Solvents
• Mol File: 17252-77-6.mol

N-OCTANE-D18 Chemical Properties

• Melting point: -57 °C (lit.)
• Boiling point: 125-127 °C
• density: 0.815 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.394(lit.)
• Fp: 60 °F
• storage temp.: Flammables area
• solubility: 0.0007g/l
• form: Liquid
• Specific Gravity: 0.815
• explosive limit: 0.8-6.5%(V)
• Stability: Stable. Highly flammable. Readily forms explosive mixtures with air.
• InChI: 1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
• InChIKey: TVMXDCGIABBOFY-VAZJTQEUSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• CAS Number Unlabeled: 111-65-9

Safety Information

• Hazard Codes: F,Xn,N
• Risk Statements: 11-67-65-50/53-38
• Safety Statements: 9-16-29-33-62-61-60
• RIDADR: UN 1262 3/PG 2
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: II
• HS Code: 28459000
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Aquatic Acute 1 Aquatic Chronic 1 Asp. Tox. 1 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3

N-OCTANE-D18 Usage And Synthesis

Chemical Properties

colourless liquid

Uses

Octane-d₁₈ has been used to evaluate the separation factors of the deuterated octane isomers by gas chromatography (GC).

General Description

Octane-d₁₈ is a deuterated NMR solvent. It is useful in NMR-based research and analyses. It can be prepared starting from n-octane. It undergoes H/D (Hydrogen/Deuterium) exchange reaction with mono pinacolboryl complex at 110°C.