undec-10-enal

• ChemBase ID: 111529
• Molecular Formular: C11H20O
• Molecular Mass: 168.2759
• Monoisotopic Mass: 168.15141526
• SMILES: C=CCCCCCCCCC=O
• Canonical SMILES: C=CCCCCCCCCC=O
• InChI: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
• InChIKey: OFHHDSQXFXLTKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-10-enal
• IUPAC Traditional name: 10-undecenal
• Synonyms: n-UNDECYLENIC ALDEHYDE (10-1); Undecylenic aldehyde; 10-Undecenal; Undecylenic aldehyde; 10-Undecenal; 十一碳烯醛; 10-十一碳烯醛; 10-十一烯醛; 十一碳烯醛

Database IDs

• CAS Number: 112-45-8
• EC Number: 203-973-1
• MDL Number: MFCD00007032
• PubChem SID: 162096857; 24848045; 24901462
• PubChem CID: 8187
• FEMA ID: 3095
• Council of Europe Number: 122
• Flavis Number: 5.035

CALCULATED PROPERTIES

• Acid pKa: 15.555514
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5711353
• LogD (pH = 7.4): 3.5711353
• Log P: 3.5711353
• Molar Refractivity: 53.1973 cm^3
• Polarizability: 20.843636 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-100 °C/3 mmHg(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 0.84 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4427(lit.)
• Vapor Density: >1 (vs air)
• Organoleptic: citrus; waxy; fatty; rose; sweet

Safety Information

• RTECS: YQ2835000
• German water hazard class: 2
• 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

Product Information

• Purity: ≥90%; 95%
• Grade: Halal; Kosher
• Linear Formula: H2C=CH(CH2)8CHO

DETAILS

MP Biomedicals - 05219710

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 132276

Packaging
25, 100 g in glass bottle

Sigma Aldrich - W309508

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in comp drum