515-13-9

Name BETA-ELEMENE
CAS 515-13-9
EINECS(EC#) 679-283-3
Molecular Formula C15H24
MDL Number MFCD00468041
Molecular Weight 204.35
MOL File 515-13-9.mol
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Chemical Properties

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 Data

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 
WGK Germany  3
RTECS  GU9660000
Storage Class 10 - Combustible liquids

Hazard Information

Spectrum Detail

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