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529-05-5

529-05-5 structural image
Product Name: CHAMAZULEN
Formula: C14H16
Synonyms: 7-Ethyl-1,4-dimethylazulene;Chamazulen;Dimethulene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 159.00 °C. @ 11.00 mm Hg
Melting Point < 25 °C
LogP 5.510
Kovats Retention Index 1716 1728 1739 1707 1719 1699 1700 1706 1710 1715 1705 1700 1715 1715 1702 1669 1674 1674 1674 1712 1714

SAFETY INFORMATION

GHS Hazard Statements H413:Hazardous to the aquatic environment, long-term hazard

COMPUTED DESCRIPTORS

Molecular Weight 184.28 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 184.125200510 g/mol
Monoisotopic Mass 184.125200510 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 185
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Chamazulene is a sesquiterpenoid.