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118-65-0

118-65-0 structural image
Product Name: (-)-ISOCARYOPHYLLENE
Formula: C15H24
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Beta-caryophyllene is a pale yellow oily liquid with an odor midway between odor of cloves and turpentine. (NTP, 1992)
Boiling Point 264 to 266 °F at 14 mmHg (NTP, 1992)
Flash Point 214 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 0.9075 at 68 °F (NTP, 1992) - Less dense than water; will float
Refractive Index 1.498-1.504
Kovats Retention Index 1396 1419 1404 1389.6 1405.3 1396 1399 1429.7 1413 1430 1405 1421 1434 1411 1427 1419 1409 1411 1403 1409 1406 1412 1409 1409 1405 1422 1401 1395 1395 1394 1422 1403 1416 1464 1407 1416
Chemical Classes Biological Agents -> Plant Oils and Extracts

COMPUTED DESCRIPTORS

Molecular Weight 204.35 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 204.187800766 g/mol
Monoisotopic Mass 204.187800766 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 293
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Beta-caryophyllene is a pale yellow oily liquid with an odor midway between odor of cloves and turpentine. (NTP, 1992)