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515-13-9

515-13-9 Structure

515-13-9 Structure
IdentificationBack Directory
[Name]

BETA-ELEMENE
[CAS]

515-13-9
[Synonyms]

emene
β-Elemen
β-Elemene
(-)-beta-EL
β-ELEMENE82%
beta-Elemene
Levo-β-elemene
(-)-beta-Elemene
levo-beta-Elemene
β-Elemene (10mg/ml in ethanol)
(-)-beta-Elemene analytical standard
(1S,2S,4R)-(?)-2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane
C15 H24, Cyclohexan, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-
(1S,2S,4R)-1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
Cyclohexane,1-ethenyl-1-Methyl-2,4-bis(1-Methylethenyl)-, (1S,2S,4R)-
[EINECS(EC#)]

679-283-3
[Molecular Formula]

C15H24
[MDL Number]

MFCD00468041
[MOL File]

515-13-9.mol
[Molecular Weight]

204.35
Chemical PropertiesBack Directory
[Boiling point ]

252℃
[density ]

0.862
[Fp ]

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 ]

neat
[color ]

Colorless to light yellow
[Odor]

at 100.00?%. sweet
[BRN ]

2207781
[Stability:]

Volatile
[Major Application]

food and beverages
[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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301+H311-H332-H314-H335-H410-H227
[Precautionary statements ]

P501-P261-P273-P270-P210-P271-P264-P280-P370+P378-P391-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
[Risk Statements ]

66
[WGK Germany ]

3
[RTECS ]

GU9660000
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[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.
[storage]

Store at -20°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

BETA-ELEMENE(515-13-9)1HNMR
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