beta-Sinensal

Base Information

• Chemical Name: beta-Sinensal
• CAS No.: 8028-48-6
• Molecular Formula: C15H22O
• Molecular Weight: 218.33500
• Hs Code.: 3301902000
• European Community (EC) Number: 232-433-8,262-043-3
• UNII: 4C2WZT6IRL
• DSSTox Substance ID: DTXSID901318720
• Metabolomics Workbench ID: 70316
• Nikkaji Number: J14.807E,J298.768F
• Wikidata: Q27108641
• Mol file: 8028-48-6.mol

Synonyms:2,6-dimethyl-10-methylene-2,6,11-dodecatrienal;beta-sinensal

Chemical Property of beta-Sinensal

Chemical Property:

• Appearance/Colour: Yellowish brown powder
• Vapor Pressure: 1.864hPa at 25℃
• Refractive Index: n20/D 1.472(lit.)
• Boiling Point: 176 °C(lit.)
• Flash Point: 115 °F
• PSA: 0.00000
• Density: 0.84 g/mL at 25 °C(lit.)
• LogP: 0.00000
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 218.167065321
• Heavy Atom Count: 16
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

Orange oil natural, cold-compressed, California origin, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,Xn
• Statements: 10-36/37/38-65-51/53-43-38
• Safety Statements: 26-36-62-61-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=C)C=C)CCC=C(C)C=O
• Isomeric SMILES: C/C(=C\CCC(=C)C=C)/CC/C=C(\C)/C=O
• Uses: orange oil (Citrus aurantium [bitter orange] and Citrus sinensis [sweet orange]) is primarily used in perfumery. orange oil’s botanical properties in skin care are considered anti-inflammatory, anti-bacterial, anti-spasmodic, and sedative, making it suitable for sensitive, delicate skin.