116598-94-8

Basic information

• Product Name: P-XYLENE-ALPHA,ALPHA'-13C2
• Synonyms: P-XYLENE-ALPHA,ALPHA'-13C2;P-XYLENE-ALPHA,ALPHA'-13C2, 99 ATOM % 13 C;1,4-dimethyl-13c2-benzene;p-xylene-13c2(dimethyl-13c2);1,4-Dimethyl-13C2-benzene, p-Xylene-α,αμ-13C2;p-Xylene-(dimethyl-13C2)
• CAS NO: 116598-94-8
• Molecular Formula: C8H10
• Molecular Weight: 108.18
• Mol File: 116598-94-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 12-13 °C(lit.)
• Boiling Point: 138 °C(lit.)
• Flash Point: 77 °F
• Appearance: /
• Density: 0.882 g/mL at 25 °C
• Refractive Index: n20/D 1.495(lit.)
• CAS DataBase Reference: P-XYLENE-ALPHA,ALPHA'-13C2(CAS DataBase Reference)
• NIST Chemistry Reference: P-XYLENE-ALPHA,ALPHA'-13C2(116598-94-8)
• EPA Substance Registry System: P-XYLENE-ALPHA,ALPHA'-13C2(116598-94-8)

Safety Data

• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36
• RIDADR: UN1307 - class 3 - PG 3 - Xylenes
• WGK Germany: 3
• Hazardous Substances Data: 116598-94-8(Hazardous Substances Data)

Upstream product

• 622-96-8 4-methylethylbenzene 
• 149228-22-8 ¹³C₂-dimethyl ether 

Relevant articles and documents

The mechanism of aromatic dealkylation in methanol-to-hydrocarbons conversion on H-ZSM-5: What are the aromatic precursors to light olefins?

Co-reactions of 7.5-9.3 kPa of DME with 4 kPa of toluene, p-xylene, and 4-ethyltoluene on H-ZSM-5 at 523-723 K at low conversions (13C/12C show that carbons originating from the aromatic ring are incorporated into ethene and propene. A comparison of the predicted 13C-contents of ethene and propene postulated on the basis of the paring, side-chain, and ring-expansion aromatic dealkylation mechanisms based on the experimentally observed isotopologue distribution of 1,2,4-trimethylbenzene, 1,2,4,5-tetramethylbenzene, and 4-ethyltoluene reveal that the predicted 13C-content of ethene and propene from 1,2,4,5-tetramethylbenzene via the paring mechanism most closely match the experimentally observed 13C-contents of ethene and propene (a 200 K range in temperature.