(2H5)propanoyl (2H5)propanoate

• ChemBase ID: 134583
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: CCC(=O)OC(=O)CC
• Canonical SMILES: CCC(=O)OC(=O)CC
• InChI: InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3
• InChIKey: WYVAMUWZEOHJOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)propanoyl (^2H₅)propanoate
• IUPAC Traditional name: (^2H₅)propanoyl (^2H₅)propanoate
• Synonyms: Propionic anhydride-d10; 丙酸酐-d10

Database IDs

• CAS Number: 870471-31-1
• MDL Number: MFCD04118280
• PubChem SID: 162228859
• PubChem CID: 59152710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0885522
• LogD (pH = 7.4): 1.0885522
• Log P: 1.0885522
• Molar Refractivity: 31.3358 cm^3
• Polarizability: 12.67607 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -43 °C(lit.)
• Boiling Point: 167 °C(lit.)
• Density: 1.090 g/mL at 25 °C
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2496
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 2496 8/PG 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 140.00 by atom % calculation
• Linear Formula: (CD3CD2CO)2O

DETAILS

Sigma Aldrich - 615692

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.