G11004

Guaiazulene

99%

• Synonym(s): 1,4-Dimethyl-7-isopropylazulene
• Empirical Formula (Hill Notation): C₁₅H₁₈
• CAS Number: 489-84-9
• Molecular Weight: 198.30
• Beilstein/REAXYS Number: 1365001
• EC Number: 207-701-2
• MDL number: MFCD00003811
• UNSPSC Code: 12352100
• PubChem Substance ID: 24895038
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• bp: 153 °C/7 mmHg (lit.)
• mp: 27-29 °C (lit.)
• density: 0.976 g/mL at 25 °C (lit.)
• SMILES string: CC(C)c1ccc(C)c2ccc(C)c2c1
• InChI: 1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
• InChI key: FWKQNCXZGNBPFD-UHFFFAOYSA-N

Description

Application

Guaiazulene can be used as a starting material for the synthesis of:

• Azulene-based dye molecules such as 3-(7-isopropyl-1,4-dimethylazulen-3-yl)-2-cyanoacrylic acid and 5-(7-isopropyl-1,4-dimethylazulen-3-yl)-2-cyanopenta-2,4-dienoic acid.
• Stilbazulenyl nitrone, a second-generation azulenyl nitrone which can be used as a chain-breaking antioxidant.
• Bis-azulenyl based near-infrared fluorescence quencher.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves