non-2-enal

• ChemBase ID: 110920
• Molecular Formular: C9H16O
• Molecular Mass: 140.22274
• Monoisotopic Mass: 140.12011513
• SMILES: CCCCCC/C=C/C=O
• Canonical SMILES: CCCCCC/C=C/C=O
• InChI: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3
• InChIKey: BSAIUMLZVGUGKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-2-enal; (2E)-non-2-enal
• IUPAC Traditional name: 2-nonenal
• Synonyms: 2-Nonenal; TRANS-2-NONEN-1-AL; trans-2-Nonenal; 反式-2-壬烯醛

Database IDs

• CAS Number: 2463-53-8; 18829-56-6
• EC Number: 219-562-5; 242-609-6
• MDL Number: MFCD00007012
• Merck Index: 146676
• PubChem SID: 24901557; 24855471; 162096503
• PubChem CID: 5283335
• CHEMBL: 450072
• Chemspider ID: 4446456
• FEMA ID: 3213
• Wikipedia Title: 2-Nonenal
• Council of Europe Number: 733
• Flavis Number: 5.072

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9838095
• LogD (pH = 7.4): 2.9838095
• Log P: 2.9838095
• Molar Refractivity: 45.0445 cm^3
• Polarizability: 17.15133 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear, colorless liquid
• Boiling Point: 55-60 °C at 0.30 mmHg; 88-90 °C/12 mmHg(lit.); 98-100°C/12mm
• Flash Point: 183.2 °F; 79 °C; 84 °C; 84°C(184°F)
• Density: 0.846; 0.846 g/mL at 25 °C(lit.); 0.850 g/ml
• Refractive Index: 1.4403; n20/D 1.453(lit.)
• Vapor Density: >1 (vs air)
• Organoleptic: waxy; fatty

Safety Information

• Storage Warning: Air Sensitive
• RTECS: RA8509000; RA8509050
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R38
• Safety Statements: 23-26-37-60; 26-36/37/39; S24/25 S37 S45 S28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  2

  1

  0
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥93%; 97%
• Grade: Halal; Kosher; NI
• Linear Formula: CH3(CH2)5CH=CHCHO

DETAILS

MP Biomedicals - 05216974

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W321303

Packaging
1 kg in glass bottle
1 sample in glass bottle
200 g in poly bottle
4 kg in poly drum

Sigma Aldrich - 255653

Packaging
5, 25 g in glass bottle