Guaiazulene

• CAS: 489-84-9
• Catalog Number: ACM489849
• Category: Arenes
• Molecular Weight: 198.3
• Molecular Formula: C15H18
• Synonyms: 1,4-Dimethyl-7-(1-methylethyl)-azulen
• IUPAC Name: 1,4-Dimethyl-7-propan-2-ylazulene
• Canonical SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
• InChI: 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
• Boiling Point: 153 °C/7 mmHg(lit.)
• Melting Point: 27-29 °C(lit.)
• Flash Point: >230 °F
• Density: 0.976 g/mL at 25 °C(lit.)
• Appearance: Solid
• Storage: Sealed in dry, 2-8 °C
• Complexity: 206
• Exact Mass: 198.140850574
• Hazard Statements: H400
• Monoisotopic Mass: 198.140850574
• Refractive Index: 1.3166
• RIDADR: NONH for all modes of transport
• Symbol: GHS09
• Topological Polar Surface Area: 0 Ų

Custom Q&A

What is the molecular formula of Guaiazulene?

The molecular formula of Guaiazulene is C15H18.

What is the molecular weight of Guaiazulene?

The molecular weight of Guaiazulene is 198.30 g/mol.

Where is Guaiazulene derived from?

Guaiazulene is derived from a hydride of a guaiane.

What are some synonyms for Guaiazulene?

Some synonyms for Guaiazulene are guaiazulene, 1,4-Dimethyl-7-isopropylazulene, and Vetivazulen.

What is the InChIKey of Guaiazulene?

The InChIKey of Guaiazulene is FWKQNCXZGNBPFD-UHFFFAOYSA-N.

What is the Canonical SMILES representation of Guaiazulene?

The Canonical SMILES representation of Guaiazulene is CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C.

What is the XLogP3-AA value of Guaiazulene?

The XLogP3-AA value of Guaiazulene is 4.8.

How many hydrogen bond donor counts does Guaiazulene have?

Guaiazulene has 0 hydrogen bond donor counts.

What is the topological polar surface area of Guaiazulene?

The topological polar surface area of Guaiazulene is 0 Ų.

Is Guaiazulene a natural product found in other organisms?

Yes, Guaiazulene is a natural product found in Mikania cordifolia, Santolina corsica, and other organisms.