(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene | CAS No. 6753-98-6

(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene

Basic Information

CAS Number

6753-98-6

Molecular Formula

C15H24

Molecular Weight

204.36 g/mol

AD

Basic Physical Properties

Physical State

Oil

Melting Point

113 ºC

Boiling Point

166-168 °C

Density

0.889 g/mL at 20 °C

Solubility

Insuluble (2.2E-6 g/L) (25 ºC),

Refractive Index

n20/D 1.503(lit.)

Vapor Pressure

0.0±0.3 mmHg at 25°C

C/C/1=C\CC(C)(C)/C=C/C/C(=C/CC1)/C

InChI

InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+

InChIKey

FAMPSKZZVDUYOS-HRGUGZIWSA-N

LogP

5.0354000000000045

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

287

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

  • 1,4,8-Cycloundecatriene,2,6,6,9-tetramethyl-, (1E,4E,8E)-
  • A-HUMULENE
  • alpha-Humulene
  • HUMULENE, alpha-(P)
  • α-CARYOPHYLLENE
  • α-Humulene
  • &alpha
  • (1E,4E,8E)-alpha-humulene
  • alpha-Caryophyllene
  • (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
  • a -Caryophyllene
  • Humulene
  • α-Caryophyllene
  • (±)-α-Humulene,Humulene

MDL Number

MFCD00042689

Customs Code

2902199090

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