(8Z)-undec-8-enal

• ChemBase ID: 149731
• Molecular Formular: C11H20O
• Molecular Mass: 168.2759
• Monoisotopic Mass: 168.15141526
• SMILES: CC/C=C\CCCCCCC=O
• Canonical SMILES: CC/C=C\CCCCCCC=O
• InChI: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,11H,2,5-10H2,1H3/b4-3-
• InChIKey: DWQXOILNGUCNSH-ARJAWSKDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8Z)-undec-8-enal
• IUPAC Traditional name: (8Z)-undec-8-enal
• Synonyms: cis-8-Undecenal; 8-Undecenal, predominantly cis; 8-十一烯醛; 8-十一碳烯醛, 主要为顺式

Database IDs

• CAS Number: 58296-81-4; 147159-49-7
• EC Number: 261-202-4
• MDL Number: MFCD00015577
• PubChem SID: 24902110; 162243893; 24878926
• PubChem CID: 6436710

CALCULATED PROPERTIES

• Acid pKa: 17.78538
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5132015
• LogD (pH = 7.4): 3.5132015
• Log P: 3.5132015
• Molar Refractivity: 54.2698 cm^3
• Polarizability: 20.843636 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 261-263°C
• Boiling Point: 89 °C/5 mmHg; 89 °C/5 mmHg(lit.); 95°C/4mm
• Flash Point: 199.4 °F; 93 °C; 93°C(199°F)
• Density: 0.845; 0.845 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4460(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Pharmacology Properties

• Allergens: no known allergens, no known allergens

Product Information

• Purity: ≥96%; 96%
• Grade: Kosher
• Contains: 0.50% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: CH3CH2CH=CH(CH2)6CHO

DETAILS

Sigma Aldrich - 547220

Packaging
25 g in glass bottle

Sigma Aldrich - W526908

Packaging
1 sample in glass bottle
25, 100 g in glass bottle