Detail of "3600-95-1"

CAS Number:
3600-95-1
Name:
2,5-Cyclohexadiene-1,4-dione,2-[(1R)-1,5-dimethyl-4-hexen-1-yl]-3-hydroxy-5-methyl-
Molecular Structure:
Formula:
C15H20 O3
Molecular Weight:
0
Synonyms:
2,5-Cyclohexadiene-1,4-dione,2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-, (R)-;2,5-Cyclohexadiene-1,4-dione,2-[(1R)-1,5-dimethyl-4-hexenyl]-3-hydroxy-5-methyl- (9CI); p-Benzoquinone,2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl- (8CI); Perezone
Density:
1.103g/cm³
Boiling Point:
359.3°Cat760mmHg
Flash Point:
185.3°C

2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-, (R)-

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About perezone derivatives, a theoretical approach: About perezone derivatives, a theoretical approach. Rubio, M.; G, Guillermo Ramierz; Jimenez, Federico Garcia; Salcedo, Roberto; Belmont, M. A. (Inst. Quimica, Univ. Nacional Autonoma de Mexico, Mexico City 04510, Mex.). THEOCHEM, 397, 239-248 (English) 1997 Elsevier. CODEN: THEODJ. ISSN: 0166-1280. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Theor. AM1 calcns. were carried out on 12 derivs.Several reagents such as 3600-95-1 is used here. of perezone. The results yield 3 different resonance forms of the diradical configuration for the triplet state. The frontier mol. orbitals in the ground state were compared with the SOMOs in the triplet state in the process of formation of the diradical. .