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4,6,8-Trimethylazulene
[CAS 941-81-1]

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Identification
Name 4,6,8-Trimethylazulene
Synonyms Stock1n-11515; 2,4,6-Trimethylbicyclo[5.3.0]Deca-2,4,6,8,10-Pentaene; Azulene, 4,6,8-Trimethyl-
Molecular Structure CAS#: 941-81-1, 4,6,8-Trimethylazulene
Molecular Formula C13H14
Molecular Weight 170.25
CAS Registry Number 941-81-1
EINECS 213-383-6
SMILES CC2=C1C(=CC=C1)C(=CC(=C2)C)C
InChI 1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3
InChIKey RUNBRXWUHPOTOO-UHFFFAOYSA-N
Properties
Density 0.988g/cm3 (Cal.)
Melting point 80-82°C (Expl.)
Boiling point 284.652°C at 760 mmHg (Cal.)
Flash point 126.16°C (Cal.)
Safety Data
SDS Available
References
(1) Kazuhiro Tsuchiya, Keiko Ideta, Koichi Mogi, Yusuke Sunada and Hideo Nagashima. Experimental and theoretical aspects of the haptotropic rearrangement of diiron and dirutheniumcarbonyl complexes bound to 4,6,8-trimethylazulene, Dalton Trans., 2008, 2708.
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