87-44-5
Product Name:
β-Caryophyllene
Formula:
C15H24
Synonyms:
β-Caryophyllene;(−)-trans-Caryophyllene;trans-(1R,9S)-8-Methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
Inquiry
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) |
| Melting Point | < 25 °C |
| 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 |
| LogP | 6.300 |
| Refractive Index | 1.498-1.504 |
| Kovats Retention Index | 1424 1421 1420 1447 1418 1419 1417 1414 1419 1419 1403 1409 1427 1420 1419 1408 1412 1421 1419 1419 1412 1408 1409 1410 1407 1410 1409 1424 1409 1418 1408 1405 1396 1399 1424 1391 1406 1419 1419 1419 1420 1409 1407 1428 1399 1420 1391.8 1404.3 1417.1 1408 1408 1418 1426 1398 1420 1417 1417 1400 1423 1408 1419 1400 1391 1410 1400 1414 1402.9 1409 1418 1405 1405 1420 1411 1406 1410 1410 1421 1415.1 1418 1423 1437 1418.3 1420 1420 1410 1410 1421 1424 1419 1423 1421 1420 1420 1401 1430 1419 1425 1420 1420 1420 1420 1426 1403 1435 1427 1421 1397 1406 1426 1426 1425 1422 1400 1420 1398 1431 1431 1429 1429 1422 1439 1440 1445 1448 1448 1449 1449 1450 1451 1451 1453 1455 1457 1459 1438 1425 1427 1416 1438 1414 1408.7 1414.8 1415.3 1430.2 1447.9 1427.5 1435.06 1427 1403 1414 1427 1422 1428 1420 1430 1432 1426 1413 1428 1392.14 1400 1407.76 1412.51 1419.57 1426.69 1433.93 1441.31 1449.01 1456.63 1464.5 1417 1432 1421 1423 1418 1425 1423 1423 1428 1425 1425 1411 1428 1419 1425 1420 1411 1422 1428 1418 1420 1422 1422 1422 1412 1433 1421 1420 1405 1420 1408 1419 1417 1420 1407 1414 1422 1422 1405 1414 1429 1424 1428 1417 1422 1422 1418 1418 1425 1432.6 1425 1403 1426 1410 1415 1403 1426 1424 1420 1449 1456 1424 1440 1408 1411 1430 1440 1426 1427 1434 1442 1449 1427 1434 1442 1449 1440 1442 1446 1446 1436 1417.5 1418 1422 1422 1424 1424 1417 1418 1421 1423 1435 1426 1467 1418 1420 1420 1424 1438 1409 1424 1422 1406 1427 1418 1415 1423 1419 1419 1425 1426 1427 1436 1425 1461 1415 1414 1414 1421 1424 1384 1414 1414 1419 1413 1419 1419 1421 1424 1424 1434 1414 1427 1414 1421 1418 1417 1400 1418 1410 1410 1403 1417 1423 1423 1427 1414 1429 1414 1417 1421 1415 1420 1413 1416 1423 1421 1421 1408 1412 1424 1415 1414 1413 1428 1428 1429 1419 1421 1412 1415 1415 1404 1419 1421 1408 1422 1397 1430 1423 1417 1418 1418 1416 1423 1419 1423 1422 1429 1439 1414 1412 1401 1412 1398 1414 1420 1416 1424 1429 1414 1422 1414 1423 1433 1435 1398 1402 1418 1423 1423 1418 1410 1410 1419 1419 1398 1430 1427 1424 1418 1414 1400 1423 1412 1419 1421 1416 1426 1416 1408 1424 1419 1420 1422 1422 1414 1419 1418 1419 1418 1409 1418 1418 1398 1429 1429 1415 1415 1422 1415 1412 1414 1420 1419 1402 1429 1428 1414 1414 1417 1417 1423 1413 1430 1455.4 1391.8 1420 1411 1423 1405 1414 1415 1419 1412 1406 1421 1414 1420 1423 1423 1409 1413 1416 1416 1415 1401 1423 1430 1421.7 1429.4 1415 1422 1414 1412 1424 1408 1422 1391 1423 1420 1428 1428 1419 1414 1423 1409 1413 1411 1414 1419 1400 1427 1411 1419 1414 1422 1417 1427 1428 1420 1403 1410 1415 1411 1411 1403 1418 1394 1422 1425 1425 1405 1434 1409 1418.5 1414 1440 1418 1460 1418 1398 1423 1429 1416 1420 1414 1420 1411 1423 1431 1396 1396 1397 1397 1417 1422 1423 1421 1418 1429 1419 1401 1420 1397 1401 1407 1404 1414 1428 1422 1432.1 1420 1422 1414 1424 1423 1424 1417 1423 1427 1415 1418 1414 1405 1403 1419 1419 1414 1435 1421 1418 1420 1423 1437 1414 1414 1396 1397 1437 1429 1414 1420 1420 1419 1419 1411 1414 1433 1410 1420 1408 1411 1420 1422 1423 1425 1419 1411 1416 1417 1415 1415 1416 1425 1427 1406 1417 1424 1424 1424 1424 1415 1417 1428 1429 1421 1423 1423 1409 1408 1409 1414 1414 1415 1420 1412 1422 1422 1397.4 1417.4 1417.4 1418 1418.5 1414 1415 1423 1415 1415 1412 1414 1415 1422 1422 1422 1410 1452 1414 1410 1413 1428 1445 1410 1414 1434 1435 1416 1414 1413 1412 1413 1413 1410 1442 1450 1417 1411 1414 1425 1428 |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H304:Aspiration hazard H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
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)