(2E,4E)-undeca-2,4-dienal

• ChemBase ID: 111302
• Molecular Formular: C11H18O
• Molecular Mass: 166.26002
• Monoisotopic Mass: 166.1357652
• SMILES: CCCCCC/C=C/C=C/C=O
• Canonical SMILES: CCCCCC/C=C/C=C/C=O
• InChI: InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-11H,2-6H2,1H3
• InChIKey: UVIUIIFPIWRILL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,4E)-undeca-2,4-dienal; undeca-2,4-dienal
• IUPAC Traditional name: (2E,4E)-undeca-2,4-dienal; undeca-2,4-dienal
• Synonyms: trans,trans-2,4-Undecadienal; (2E,4E)-Undeca-2,4-dienal; 2,4-UNDECADIEN-1-AL; 反,反-2,4-十一碳烯醛; 反,反-2,4-十一烷二烯醛

Database IDs

• CAS Number: 30361-29-6; 13162-46-4
• EC Number: 250-148-7
• MDL Number: MFCD00014677
• Beilstein Number: 1706330
• PubChem SID: 162103071; 24901694
• PubChem CID: 5367531
• FEMA ID: 3422
• Council of Europe Number: 10385
• Flavis Number: 5.196

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.511025
• LogD (pH = 7.4): 3.511025
• Log P: 3.511025
• Molar Refractivity: 55.3631 cm^3
• Polarizability: 20.609564 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 128-129°C/10mm
• Flash Point: >110 °C; >230 °F; 107°C(225°F)
• Density: 0.869 g/mL at 25 °C(lit.); 0.870
• Refractive Index: 1.5120; n20/D 1.514(lit.)
• Organoleptic: butter; spicy

Safety Information

• Storage Warning: Air Sensitive
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥90%; 90+%, remainder mainly trans,cis isomer; 95+%
• Grade: Halal; Kosher; NI
• Contains: 0.50% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: CH3(CH2)5CH=CHCH=CHCHO

DETAILS

MP Biomedicals - 05218562

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W342203

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
25 g in poly bottle