1-Naphthalenecarboxaldehyde, 8-hydroxy-2-methoxy-6-methyl-4-(1-methylethyl)-

Base Information

• Chemical Name: 1-Naphthalenecarboxaldehyde, 8-hydroxy-2-methoxy-6-methyl-4-(1-methylethyl)-
• CAS No.: 40817-06-9
• Molecular Formula: C₁₆H₁₈O₃
• Molecular Weight: 258.317
• DSSTox Substance ID: DTXSID00193805
• Wikidata: Q83066532
• Mol file: 40817-06-9.mol

Synonyms:Vergosin;40817-06-9;1-Naphthalenecarboxaldehyde, 8-hydroxy-2-methoxy-6-methyl-4-(1-methylethyl)-;8-Hydroxy-4-isopropyl-2-methoxy-6-methyl-1-naphthaldehyde;2H-Naphtho(1,8-bc)furan-3-ol, 4-methoxy-7-methyl-5-(1-methylethyl)-;DTXSID00193805;8-hydroxy-2-methoxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde

Chemical Property of 1-Naphthalenecarboxaldehyde, 8-hydroxy-2-methoxy-6-methyl-4-(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 5.11E-09mmHg at 25°C
• Melting Point: 156-160 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
• Boiling Point: 458.3°Cat760mmHg
• PKA: 9.42±0.20(Predicted)
• Flash Point: 170.9°C
• PSA: 46.53000
• Density: 1.153g/cm³
• LogP: 3.79830
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 258.125594432
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=C(C=C2C(C)C)OC)C=O

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