6753-98-6
Product Name:
ALPHA-CARYOPHYLLENE
Formula:
C15H24
Synonyms:
α-Caryophyllene;trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene;alpha-Humulene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 99.00 to 100.00 °C. @ 3.00 mm Hg |
| Melting Point | < 25 °C |
| Kovats Retention Index | 1456 1454 1482 1451 1452 1447 1451 1452 1442 1417 1440 1460 1450 1440 1445 1454 1454 1449 1469 1442 1442 1441 1442 1428 1456 1439 1455 1437 1454 1435 1429 1430 1423 1438 1454 1451 1452 1428 1453 1441 1440 1461 1431 1453 1421.8 1433.1 1448 1442 1442 1454 1453 1454 1433 1460 1442 1451 1431 1425 1423 1443 1431 1435 1440 1452 1436 1453 1453 1444 1439 1443 1443 1453 1454 1453 1453 1453 1443 1443 1454 1453 1463 1453 1454 1437 1461 1454 1445 1465 1471 1453 1431 1437 1462 1463 1455 1434 1447 1441 1454 1462 1460 1448 1472 1455 1455 1436 1445 1449 1465 1460 1452 1447 1452 1446 1449 1456 1456 1450 1438 1458 1456 1456 1453 1451 1444 1448 1452 1458 1455 1467 1456 1463 1445 1456 1447 1453 1451 1447 1435 1453 1440 1450 1455 1448 1461 1457 1465 1451 1456 1454 1446 1449 1456 1464.4 1434 1459 1453 1467 1447 1455 1472 1439 1471 1459 1469 1466 1446.8 1487 1454 1450 1450 1455 1455 1454 1454 1458 1469 1454 1458 1451 1455 1433 1455 1461 1472 1450 1456 1450 1451 1453 1460 1469 1468 1447 1447 1414 1447 1447 1449 1418 1421 1447 1447 1451 1447 1455 1455 1451 1457 1468 1447 1459 1436 1413 1447 1446 1454 1453 1432 1447 1442 1440 1458 1458 1459 1447 1447 1451 1455 1453 1442 1445 1456 1451 1442 1455 1446 1452 1455 1441 1455 1437 1461 1450 1460 1452 1456 1456 1474 1449 1433 1441 1428 1447 1453 1459 1462 1447 1465 1464 1464 1430 1433 1452 1456 1456 1447 1447 1425 1454 1454 1433 1450 1445 1433 1451 1442 1457 1438 1460 1443 1454 1453 1450 1447 1452 1455 1450 1442 1448 1450 1433 1447 1445 1455 1455 1441 1448 1449 1469 1447 1460 1453 1421.8 1451 1444 1453 1436 1447 1445 1451 1440 1455 1447 1452 1443 1448 1449 1454.7 1460.9 1417 1447 1443 1461 1442 1454 1424 1454 1453 1461 1453 1443 1435 1444 1443 1450 1433 1457 1444 1451 1447 1456 1451 1453 1468 1445 1441 1427 1451.5 1428 1455 1479 1466 1448 1443 1447 1470 1455 1480 1452 1456 1468 1453 1453 1447 1454 1440 1456 1466 1451 1455 1454 1461 1464 1434 1451 1427 1447 1467 1465.2 1453 1447 1456 1462 1447 1460 1447 1451 1447 1435 1463 1453 1454 1454 1438 1454 1459 1447 1465 1454 1452 1453 1456 1440 1440 1440 1447 1447 1442 1430 1449 1460 1447 1454 1453 1452 1444 1447 1450 1437 1465 1439 1443 1453 1456 1462 1469 1444 1453 1447 1448 1448 1438 1460 1456 1453 1450 1435 1437 1450 1424 1446 1449 1448 1448 1448 1444 1452 1455 1447 1448 1457 1448 1450 1445 1455 1455 1436 1487 1446 1437 1465 1450 1446 1446 1445 1437 1443 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
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 | 4.5 |
| 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 | 287 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(1E,4E,8E)-alpha-humulene is the (1E,4E,8E)-isomer of alpha-humulene.