BETA-ELEMENE Chemical Properties

Boiling point:

252℃

Density 

0.862

Flash point:

98℃

storage temp. 

2-8°C

solubility 

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:2): 0.3 mg/ml

form 

Liquid

color 

Colorless to light yellow

Odor

at 100.00?%. sweet

BRN 

2207781

Stability:

Volatile

InChI

InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1

InChIKey

OPFTUNCRGUEPRZ-RBSFLKMASA-N

SMILES

[C@@]1(C=C)(C)CC[C@@H](C(C)=C)C[C@H]1C(C)=C

LogP

5.772 (est)

Safety Information

Risk Statements 

66

WGK Germany 

3

RTECS 

GU9660000

BETA-ELEMENE Usage And Synthesis

Uses

β-Elemene is an active constituent of Delonix regia and an anti-inflammatory agent. β-Elemene is a useful compound for investigating the toll-like receptor 4 signaling pathway and the inhibition of TNF-?a, IL-?1b, IL-?6 and IL-?12 expressions.

Definition

ChEBI: (-)-beta-elemene is the (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration. It has a role as an antineoplastic agent.

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