68690-89-1

Basic information

• Product Name: Methyl(α-methylbenzyl)nitrosamine
• Synonyms: Methyl(α-methylbenzyl)nitrosamine
• CAS NO: 68690-89-1
• Molecular Formula: C₉H₁₂N₂O
• Molecular Weight: 164.20438
• Mol File: 68690-89-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 291.67°C (rough estimate)
• Flash Point: 132.4°C
• Appearance: /
• Density: 1.1062 (rough estimate)
• Vapor Pressure: 0.00271mmHg at 25°C
• Refractive Index: 1.5373 (estimate)
• CAS DataBase Reference: Methyl(α-methylbenzyl)nitrosamine(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl(α-methylbenzyl)nitrosamine(68690-89-1)
• EPA Substance Registry System: Methyl(α-methylbenzyl)nitrosamine(68690-89-1)

Safety Data

• Hazardous Substances Data: 68690-89-1(Hazardous Substances Data)

Usage

Safety Profile

Moderately toxic by ingestion.Questionable carcinogen with experimental tumorigenicdata. Many N-nitroso compounds are carcinogens. Whenheated to decomposition it emits toxic fumes of NOx. Seealso N-NITROSO COMPOUNDS and AMINES

InChI:InChI=1/C9H12N2O/c1-8(11(2)10-12)9-6-4-3-5-7-9/h3-8H,1-2H3

Upstream product

• 42882-26-8 N-methyl-N-(1-phenylethyl)amine 

Downstream Products

• 87132-82-9 2-acetyl-1-methyl-1-(1'-phenylethyl)hydrazine 
• 33384-63-3 N-Methyl-N-α-phenethylhydrazine 

Relevant articles and documents

Base Catalysed Rearrangements involving Ylide Intermediates. Part 16. The Preparation and Thermal Rearrangement of Allylammonioamidates

The ammonioamidates (7) and (11) undergo rearrangement (R3=CH2Ph) and competing and rearrangements (R3=allyl).The rates of the and rearrangements of the cinnamyl ammonioamidates (11a), (11b), (11d), and (11g) show similar dependence on the nature of the substituent X.The rate of the rearrangement of the reaction products (14b), (14d), and (14g) is relatively insensitive to substituent effects, suggesting that the rates of ammonioamidate rearrangements are largely controlled by conjugation between the group X and the N(-)CO system.The and rearrangements of the cinnamylammonioamidate (11d) show moderate and similar dependence upon solvent polarity suggesting that the transition state for both reactions has considerable dipolar character.The apparent intramolecularity of the and rearrangements of the cinnamylammonioamidate (11e) as estimated by isotopic mixing methods is decreased by isotopic scrambling in the ylide due to radical recombination to give ylide (11l) in addition to products (13l) and (14l).If allowance is made for this effect the rearrangement appears to be largely, or even entirely, intramolecular and the rearrangement shows intermolecularity comparable with that found for the rearrangements of analogous ammonium ylides under similar reaction conditions.