4,6,8-Trimethylazulene

C₁₃H₁₄CAS 941-81-1170.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₄
Molar mass: 170.25 g/mol
Exact mass: 170.1096 Da
logP: 3.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H400 Very toxic to aquatic life97.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

941-81-1

SMILES

CC1=CC(=C2C=CC=C2C(=C1)C)C

InChIKey

RUNBRXWUHPOTOO-UHFFFAOYSA-N

InChI

InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Azulene, 4,6,8-trimethyl-
2,4,6-Trimethylbicyclo(5.3.0)deca-2,4,6,8,10-pentaene
4,8-Trimethylazulene
Azulene,6,8-trimethyl-
4,6,8-Trimethyl-azulene
2,6-Trimethylbicyclo[5.3.0]deca-2,4,6,8,10-pentaene

Reactions

4,6,8-TRIMETHYLAZULENE (Azulene, 4,6,8-trimethyl-)product

Work with 4,6,8-Trimethylazulene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloromesitylene1667-04-552 % similar Mesityl bromide576-83-052 % similar Isodurene527-53-750 % similar 1,3-Dimethylnaphthalene575-41-748 % similar Iodomesitylene4028-63-148 % similar 1,2,4-Trimethylbenzene95-63-648 % similar M-Xylene108-38-348 % similar 4-Chloro-M-xylene95-66-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Isopropylnaphthalene2027-17-0 2,3,5-Trimethylnaphthalene2245-38-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook