Isovanillin

• Catalog Number: ACM621590
• Product Name: Isovanillin
• CAS: 621-59-0
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Methoxy-5-formylphenol
• IUPAC Name: 3-Hydroxy-4-methoxybenzaldehyde
• Molecular Weight: 152.15
• Molecular Formula: C8H8O3
• Canonical SMILES: COC1=C(C=C(C=C1)C=O)O
• InChI: InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
• InChI Key: JVTZFYYHCGSXJV-UHFFFAOYSA-N
• Boiling Point: 179 °C/15 mmHg(lit.)
• Melting Point: 113-116 °C
• Flash Point: 179 °C
• Density: 1.20 g/cm³
• Solubility: Soluble in acetone, methanol
• Appearance: Faintly brown crystalline
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 135
• Exact Mass: 152.047344113
• Hazard Statements: Xi
• Monoisotopic Mass: 152.047344113
• Physical State: Crystalline
• Refractive Index: 1.4945
• Safety Description: 26-36/37-36
• Storage Conditions: Dark and dry place,Room Temperature
• Supplemental Hazard Statements: H335-H315-H319
• Symbol: GHS07
• Topological Polar Surface Area: 46.5 Ų

Custom Q&A

What is the molecular formula of isovanillin?

The molecular formula of isovanillin is C8H8O3.

What is the molecular weight of isovanillin?

The molecular weight of isovanillin is 152.15 g/mol.

What are some synonyms for isovanillin?

Some synonyms for isovanillin include 3-Hydroxy-4-methoxybenzaldehyde, Isovanillin, Isovanilline, and 5-Formylguaiacol.

What is the InChIKey for isovanillin?

The InChIKey for isovanillin is JVTZFYYHCGSXJV-UHFFFAOYSA-N.

Where is isovanillin found naturally?

Isovanillin is a natural product found in Ficus erecta var. beecheyana, Sphallerocarpus gracilis, and other organisms with data available.

What is the CAS number for isovanillin?

The CAS number for isovanillin is 621-59-0.

What is the European Community (EC) number for isovanillin?

The European Community (EC) number for isovanillin is 210-694-9.

What is the XLogP3 value for isovanillin?

The XLogP3 value for isovanillin is 1.

How many hydrogen bond donor counts does isovanillin have?

Isovanillin has 1 hydrogen bond donor count.

What is the topological polar surface area of isovanillin?

The topological polar surface area of isovanillin is 46.5 Å2.