3-[(2E)-non-2-en-1-yl]oxolane-2,5-dione

• ChemBase ID: 134149
• Molecular Formular: C13H20O3
• Molecular Mass: 224.2961
• Monoisotopic Mass: 224.1412445
• SMILES: CCCCCC/C=C/CC1CC(=O)OC1=O
• Canonical SMILES: CCCCCC/C=C/CC1CC(=O)OC1=O
• InChI: InChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-11-10-12(14)16-13(11)15/h7-8,11H,2-6,9-10H2,1H3/b8-7+
• InChIKey: CIMXGTDNUHWJCZ-BQYQJAHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2E)-non-2-en-1-yl]oxolane-2,5-dione; 3-(non-2-en-1-yl)oxolane-2,5-dione
• IUPAC Traditional name: 3-[(2E)-non-2-en-1-yl]oxolane-2,5-dione; 3-(non-2-en-1-yl)oxolane-2,5-dione
• Synonyms: Nonenylsuccinic anhydride; (2-Nonen-1-yl)succinic anhydride; 壬基琥珀酸酐; (2-壬烯-1-基)琥珀酸酐

Database IDs

• CAS Number: 28928-97-4
• EC Number: 249-317-8
• MDL Number: MFCD00014552
• PubChem SID: 24886684; 162228426
• PubChem CID: 6187355

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.473303
• LogD (pH = 7.4): 3.473303
• Log P: 3.473303
• Molar Refractivity: 62.8307 cm^3
• Polarizability: 24.543266 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 126-130°C/0.15mm
• Flash Point: 146 °C; 146°C(295°F); 294.8 °F
• Density: 1.03 g/mL at 20 °C(lit.); 1.032
• Refractive Index: n20/D 1.476

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥85% (titration); ≥90% (NT); 96%
• Grade: for electron microscopy; technical
• Empirical Formula (Hill Notation): C13H20O3

DETAILS

Sigma Aldrich - 74378

Application
For use in Spurr embedding technique.
Packaging
250 mL in glass bottle

Sigma Aldrich - N7644

Application
Special grade for electron microscopy: hardener for epoxy resins.