tricosan-12-one

• ChemBase ID: 107311
• Molecular Formular: C23H46O
• Molecular Mass: 338.61074
• Monoisotopic Mass: 338.35486609
• SMILES: CCCCCCCCCCCC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC(=O)CCCCCCCCCCC
• InChI: InChI=1S/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
• InChIKey: VARQGBHBYZTYLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricosan-12-one
• IUPAC Traditional name: 12-tricosanone
• Synonyms: DI-n-UNDECYL KETONE; Diundecyl ketone; 12-Tricosanone; 12-二十三酮

Database IDs

• CAS Number: 540-09-0
• EC Number: 208-735-0
• MDL Number: MFCD00026562
• PubChem SID: 162093701
• PubChem CID: 10888

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.509587
• LogD (pH = 7.4): 9.509587
• Log P: 9.509587
• Molar Refractivity: 108.2666 cm^3
• Polarizability: 43.23644 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 66-68°C; 69°C
• Density: 0.8086 g/ml

Safety Information

• RTECS: YD0805000
• TSCA Listed: 是

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05203303

MP Biomedicals Rare Chemical collection