(9Z)-tricos-9-ene

• ChemBase ID: 125078
• Molecular Formular: C23H46
• Molecular Mass: 322.61134
• Monoisotopic Mass: 322.35995147
• SMILES: C(=C\CCCCCCCCCCCCC)\CCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCC/C=C\CCCCCCCC
• InChI: InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-
• InChIKey: IGOWHGRNPLFNDJ-ZPHPHTNESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-tricos-9-ene
• IUPAC Traditional name: 9-tricosene, (Z)-
• Synonyms: Muscalure; (Z)-9-Tricosene; cis-9-Tricosene; 顺-9-二十三烯

Database IDs

• CAS Number: 27519-02-4
• EC Number: 248-505-7
• MDL Number: MFCD00008988
• Beilstein Number: 1841622
• Merck Index: 146309
• PubChem SID: 162219428
• PubChem CID: 5365075
• Chemspider ID: 4517167
• Wikipedia Title: (Z)-9-Tricosene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.326883
• LogD (pH = 7.4): 10.326883
• Log P: 10.326883
• Molar Refractivity: 108.7418 cm^3
• Polarizability: 42.998623 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 299-300°C; 300°C
• Flash Point: >110°C(230°F)
• Density: 0.806; 0.806 g/mL
• Refractive Index: 1.4530

Safety Information

• RTECS: YD0807000
• TSCA Listed: 是
• GHS Hazard statements: H313
• GHS Precautionary statements: P312

Product Information

• Purity: 96%