Guaiazulene

• Catalog Number: ACM489849
• Product Name: Guaiazulene
• CAS: 489-84-9
• Category: Arenes
• Synonyms: 1,4-Dimethyl-7-(1-methylethyl)-azulen
• IUPAC Name: 1,4-Dimethyl-7-propan-2-ylazulene
• Molecular Weight: 198.3
• Molecular Formula: C15H18
• 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.

What is the IUPAC name of guaiazulene?

The IUPAC name of guaiazulene is 1,4-dimethyl-7-propan-2-ylazulene.

What is the InChI of guaiazulene?

The InChI of guaiazulene is InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3.

What is the InChIKey of guaiazulene?

The InChIKey of guaiazulene is FWKQNCXZGNBPFD-UHFFFAOYSA-N.

What is the canonical SMILES of guaiazulene?

The canonical SMILES of guaiazulene is CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C.

What is the CAS number of guaiazulene?

The CAS number of guaiazulene is 489-84-9.

What is the XLogP3-AA value of guaiazulene?

The XLogP3-AA value of guaiazulene is 4.8.

Does guaiazulene have any hydrogen bond donor count?

No, guaiazulene does not have any hydrogen bond donor count.

What is the topological polar surface area of guaiazulene?

The topological polar surface area of guaiazulene is 0 Ų.