19170-96-8

Basic information

• Product Name: 2-METHYLPROPANE-D10
• Synonyms: ISOBUTANE (D10);2-METHYLPROPANE-D10;2-Methylpropane-D10 (gas);ISOBUTANE (D10, 98%)
• CAS NO: 19170-96-8
• Molecular Formula: C4D10
• Molecular Weight: 68.18
• Mol File: 19170-96-8.mol

Chemical Properties

• Boiling Point: -12 °C(lit.)
• Flash Point: -83 °C
• Appearance: /
• CAS DataBase Reference: 2-METHYLPROPANE-D10(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYLPROPANE-D10(19170-96-8)
• EPA Substance Registry System: 2-METHYLPROPANE-D10(19170-96-8)

Safety Data

• Hazard Codes: F+
• Statements: 12
• Safety Statements: 9-16
• RIDADR: UN 1969 2.1
• Hazardous Substances Data: 19170-96-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Reaction Tracking:
2-METHYLPROPANE-D10 is used as a tracer compound for tracking chemical reactions and experiments, particularly in techniques such as nuclear magnetic resonance (NMR) spectroscopy. The isotopic labeling with deuterium allows for the differentiation and monitoring of the compound's behavior in various chemical processes.
Used in Mass Spectrometry Analysis:
2-METHYLPROPANE-D10 is utilized as an internal standard in mass spectrometry analyses. Its stable isotopic composition provides a reliable reference point for accurate mass measurements and quantification of other compounds in complex mixtures.
Used in Refrigeration Industry:
As a colorless and flammable gas, 2-METHYLPROPANE-D10 is used as a refrigerant in various cooling systems, offering an efficient and environmentally friendly alternative to traditional refrigerants.
Used in Aerosol Propellants:
2-METHYLPROPANE-D10 is employed as a propellant in aerosol products, providing a safe and effective means of dispensing substances in a controlled manner. Its properties make it suitable for use in a wide range of consumer and industrial aerosol applications.

Upstream product

• 75-28-5 Isobutane 
• 13183-68-1 2-methylpropane-2-d1 
• 918-20-7 tert-butyl chloride-d9 

Relevant articles and documents

Deuterium Exchange Reactions of Isobutane, n-Hexane, and n-Heptane Catalyzed over Platinum Single Crystal Surfaces

Isotopic exchange reactions of isobutane, n-heptane, and n-hexane with deuterium gas have been investigated near atmospheric pressure in the temperature range 500-650 K over the flat (111) and kinked (10,8,7) crystal faces of platinum.The exchange kinetics at low conversion displayed zero activation energy, a first-order dependence on D2 pressure, and a strong negative-order dependence on the surface coverage by strongly bound carbonaceous species.Initial exchange rates and product distributions were not influenced appreciably by the presence of steps and kinks on the platinum surface, and the exchange product distributions varied little with temperature, D2 pressure, and surface composition.Hydrocarbon (HC) conversion and deuterium exchange rates measured simultaneously for n-hexane reactions catalyzed over Pt(111) revealed that deuterium exchange always occurs more rapidly as compared to all other competing chemical reactions.

Kinetic Isotope Effects for Hydrogen Abstraction from a Series of Cycloalkanes and Branched Alkanes by Hydrogen Atoms in the Gaseous Phase

Hydrogen atoms produced in the radiolysis of water vapor were used to determine the kinetic isotope effects for the reactions H(.) + RH(RD) -> H2(RD) + R(.) H(KD)>, where RH is a perprotiated alkane and RD is the corresponding perdeuterated alkane.The alkanes studied include a homologous series of cycloalkanes, cyclopentane through cyclododecane, and isobutane, 2,3-dimethylbutane, 2,3,4-trimethylpentane, and neopentane.The results were expressed in terms of the Arrhenius-type equation kH/kD = AH/AD expD-EH)(kJ mol-1)/RT>, over the temperature range of 363-463 K.The values for the ratio AH/AD range from 0.32 to 0.75, and the activation energy differences ED-EH vary from 6.8 to 11.0 kJ/mol, depending on the molecular structures of the reactants.The variation in the values of ED-EH was correlated with the bond dissociation energies of the C-H bond being broken.Theoretical calculations based on transition-state theory combined with the London-Eyring-Polanyi-Sato potetial energy surfaces could reproduce the major features of the experimental results when tunnel effects were taken into consideration.

Synthesis of deuterium labeled isobutane: Isobutane-2-d1, isobutane-1-d9 and isobutane-d10

2-Methylpropane-2-d1 (isobutane-2-d1), 2-(methyl-d3)-propane-1,1,1,3,3,3-d6 (nonadeuterated isobutane) and 2-methylpropane-d10 (perdeuterated isobutane) were synthesized by using a combination of classical organic chemistry and recently developed H/D exchange processes on solid acids. Isobutane-2-d1 was synthesized from t-butyl chloride by Grignard synthesis with an overall yield of 27.0% (chemical purity: 99.9% and isotopic purity: 96.0%). Isobutane-1-d9 was prepared by H/D exchange of 2-methylpropane (isobutane) with a D2O exchanged zeolite. The deuteriated product was obtained with an overall yield of 80.0% (chemical purity: 99.9% and isotopic purity: 98.7%). Perdeuteriated isobutane was prepared by reacting isobutane-2-d1 with 98.0% deuteriated sulfuric acid and was obtained in a total yield of 98.0% (chemical purity: 99.8% and isotopic purity: 97.9%).