tricos-9-ene

• ChemBase ID: 91444
• Molecular Formular: C23H46
• Molecular Mass: 322.61134
• Monoisotopic Mass: 322.35995147
• SMILES: CCCCCCCCCCCCC/C=C/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
• InChIKey: IGOWHGRNPLFNDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricos-9-ene
• IUPAC Traditional name: tricos-9-ene
• Synonyms: cis-9-Tricosene; Muscalure; cis-9-Tricosene; Muscalure; (Z)-9-Tricosene; 诱虫烯; 诱虫烯; 顺式-9-二十三烯; (Z)-9-二十三碳烯

Database IDs

• CAS Number: 27519-02-4
• EC Number: 248-505-7
• MDL Number: MFCD00008988
• Beilstein Number: 1841622
• PubChem SID: 162078143; 24870187; 24888493
• PubChem CID: 6385060

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: 300 °C(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.806 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.453(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: YD0807000
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Grade: PESTANAL®, analytical standard
• Linear Formula: CH3(CH2)12CH=CH(CH2)7CH3

DETAILS

Sigma Aldrich - 859885

Packaging
1 g in glass bottle

Sigma Aldrich - 46449

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH