undec-1-ene

• ChemBase ID: 73712
• Molecular Formular: C11H22
• Molecular Mass: 154.29238
• Monoisotopic Mass: 154.1721507
• SMILES: C=CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCC=C
• InChI: InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
• InChIKey: DCTOHCCUXLBQMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-1-ene
• IUPAC Traditional name: 1-undecene
• Synonyms: Undec-1-ene; 1-UNDECENE; 1-Undecene; 1-十一烯

Database IDs

• CAS Number: 821-95-4
• EC Number: 212-483-7
• MDL Number: MFCD00008956
• Beilstein Number: 1740044
• PubChem SID: 162038631; 24889771; 24854564
• PubChem CID: 13190

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.049993
• LogD (pH = 7.4): 5.049993
• Log P: 5.049993
• Molar Refractivity: 52.4573 cm^3
• Polarizability: 20.835823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -49 °C(lit.)
• Boiling Point: 192-193 °C(lit.)
• Flash Point: 145.4 °F; 63 °C
• Density: 0.75 g/ml; 0.75 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.426(lit.); n20/D 1.427

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Flammable
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H332-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.5% (GC); 97%; 99%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)8CH=CH2

DETAILS

MP Biomedicals - 02158238

Purity: 99%
1 ml = approx. 0.75 g

Sigma Aldrich - 242527

Packaging
25 g in glass bottle