|
|
Substance Name: Caryophyllene
RN: 87-44-5
UNII: BHW853AU9H
InChIKey: NPNUFJAVOOONJE-FLFDDASRSA-N
Molecular Formula
- C15-H24
Molecular Weight
- 204.3546
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Analgesics
- Analgesics, Non-Narcotic
- Anti-Inflammatory Agents
- Anti-Inflammatory Agents, Non-Steroidal
- Antirheumatic Agents
- Natural Product
- Peripheral Nervous System Agents
- Sensory System Agents
- Skin / Eye Irritant
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Results Name
- Caryophyllene
Name of Substance
- Caryophyllene
Synonyms
- (-)-beta-Caryophyllene
- (-)-E-Caryophyllene
- (-)-trans-Caryophyllene
- (E)-Caryophyllene
- 2-Methylene-6,10,10-trimethylbicyclo(7.2.0)undec-5-ene
- 4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene, (1R-(1R*,4E,9S))-
- 8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene
- AI3-36121
- beta-Caryophyllen
- beta-Caryophyllene (natural)
- Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R-(1R*,4E,9S*))-
- Caryophyllene
- Caryophyllene (VAN)
- CARYOPHYLLENE, ALPHA + BETA MIXT.
- CCRIS 8094
- E-Caryophyllene
- EINECS 201-746-1
- FEMA No. 2252
- L-Caryophyllene
- NSC 11906
- trans-beta-Caryophyllene
- trans-Caryophyllene
- UNII-BHW853AU9H
Systematic Names
- Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
- Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-
- Caryophyllene
Superlist Name
- beta-Caryophyllene
Registry Numbers
CAS Registry Number
- 87-44-5
FDA UNII
- BHW853AU9H
Other Registry Numbers
- 1233519-47-5
- 1407-53-0
- 8007-38-3
System Generated Number
- 0000087445
Structure Descriptors
InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1InChIKey
NPNUFJAVOOONJE-FLFDDASRSA-NSmiles
C\C\1=C\CCC(=C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD | intratracheal | > 48mg/kg (48mg/kg) | LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI | Archives of Toxicology. Vol. 59, Pg. 78, 1986. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | < 25 | deg C | EXP | |
log P (octanol-water) | 6.300 | (none) | EST | |
Atmospheric OH Rate Constant | 2.00E-10 | cm3/molecule-sec | 23 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.