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469-61-4

469-61-4 structural image
Product Name: (-)-ALPHA-CEDRENE
Formula: C15H24
Synonyms: (1S,2R,5S)-2,6,6,8-Tetramethyltricyclo[5.3.1.01.5]undec-8-ene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Kovats Retention Index 1405 1414 1419 1415 1404 1434 1415 1383.1 1396.9 1413 1414 1435 1436 1438 1409 1422 1423 1403 1405 1414 1414 1411 1411 1433.4 1398 1393 1393 1434 1431 1414 1413 1372 1413 1397 1389 1389 1390 1405 1412 1412 1421 1386 1410 1400 1397 1383.1 1394 1406 1394 1407 1393 1433 1398 1435 1410 1407 1409 1411 1436 1411 1434

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 204.35 g/mol
XLogP3 4.6
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 323
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

Cedr-8-ene is a sesquiterpene that is cedrane which has a double bond between positions 8 and 9. It has a role as a human urinary metabolite and a volatile oil component. It is a sesquiterpene, a bridged compound, a polycyclic olefin and a carbotricyclic compound. It derives from a hydride of a cedrane.