Benzaldehyde

Base Information

• Chemical Name: Benzaldehyde
• CAS No.: 8013-76-1
• Molecular Formula: C7H6O
• Molecular Weight: 106.12194
• European Community (EC) Number: 202-860-4,640-369-0,693-271-5
• ICSC Number: 0102
• NSC Number: 7917
• UN Number: 1990
• UNII: TA269SD04T
• DSSTox Substance ID: DTXSID8039241
• Nikkaji Number: J4.010J
• Wikipedia: Benzaldehyde
• Wikidata: Q372524
• NCI Thesaurus Code: C2591
• RXCUI: 1314334
• Metabolomics Workbench ID: 38822
• ChEMBL ID: CHEMBL15972
• Mol file: 8013-76-1.mol

Synonyms:benzaldehyde;benzaldehyde, formyl-(14)C-labeled

Chemical Property of Benzaldehyde

Chemical Property:

• Flash Point: 61℃
• PSA: 17.07000
• LogP: 1.49910
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 106.041864811
• Heavy Atom Count: 8
• Complexity: 72.5
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Almond oil, bitter natural, FG, ≥97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: C1=CC=C(C=C1)C=O
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes.
• Physical properties: Oil intended for use as a flavor ingredient is treated to remove traces of HCN by precipitation as insoluble calcium ferrocyanide.