872811-73-9

Basic information

• Product Name: Phenol, 2-(3-methyl-2-oxiranyl)-
• Synonyms: Phenol, 2-(3-methyl-2-oxiranyl)-
• CAS NO: 872811-73-9
• Molecular Formula: C9H10O2
• Molecular Weight: 0
• Mol File: 872811-73-9.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Phenol, 2-(3-methyl-2-oxiranyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 2-(3-methyl-2-oxiranyl)-(872811-73-9)
• EPA Substance Registry System: Phenol, 2-(3-methyl-2-oxiranyl)-(872811-73-9)

Safety Data

• Hazardous Substances Data: 872811-73-9(Hazardous Substances Data)

Upstream product

• 23619-59-2 (E)-2-propenylphenol 

Relevant articles and documents

Mass spectrometric investigations on phenylacetic acid derivatives, IV: Loss of ortho-substituents from ionized phenyl-2-propanones upon electron impact

In the gas phase, the phenyl-2-propanone molecules 2a-4a lose upon electron impact chloro-, bromo-, and iodo-radicals specifically at the orthopOsition of the phenyl group giving rise to strong (M-Hal.)+-ions (70/12 eV; 1st and 2nd FFR) of identical structure as confirmed by their MIKE-CAD-spectra. The daughter ions at m/z 133 from o-chlorophenyl-2-propanone (2a) and 2,2-dimethyl-2,3-dihydro[b]furane (11) are structurally similar but not identical (similarity index 99.8). The collisionally activated (2nd FFR) (M-Br.)+-ions from o-bromophenyl-2-propanone (3a) and 1-bromo-1-phenyl-2-propanone (12) produce virtually congruent spectra. The most impOrtant subsequent fragmentation of the (M-Hal-)+-ions from 2a-4a is the loss of CO which incorporates the C-atom of the carbonyl group exclusively (13C labelling). Mechanistic aspects of the fragmentation sequences are discussed (Figs. 5 and 8).