propanoyl propanoate

• ChemBase ID: 89742
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: O(C(=O)CC)C(=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: propanoyl propanoate
• IUPAC Traditional name: propionic anhydride
• Synonyms: Propionic anhydride; Propionic anhydride; Propanoyl propanoate; Propanoic anhydride 97%; Propanoic anhydride; Propionic anhydride; PROPIONIC ANHYDRIDE, PRACT; 初油酸酐; 丙酸酐

Database IDs

• CAS Number: 123-62-6
• EC Number: 204-638-2
• MDL Number: MFCD00009303
• Beilstein Number: 507066
• Merck Index: 147826
• PubChem SID: 24898599; 162076598; 24854413
• PubChem CID: 31263

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.); -45°C; -45°C
• Boiling Point: 166-168°C; 167 °C(lit.); 167°C
• Flash Point: 165.2 °F; 63°C; 63°C(145°F); 74 °C
• Auto Ignition Point: 545 °F
• Density: 1.010 g/mL at 20 °C; 1.012; 1.015 g/mL at 25 °C(lit.)
• Refractive Index: 1.404; 1.4040; n20/D 1.404; n20/D 1.404(lit.)
• Vapor Pressure: 10 mmHg ( 57.7 °C)
• Vapor Density: 4.5 (vs air)

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS: UF9100000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2496; UN2496
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34
• Safety Statements: 26-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• Explode Limits: 11.9 %
• GHS Hazard statements: H314; H314-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2496 8/PG 3

Product Information

• Purity: ≥96.0% (NT); ≥99%; 97%
• Grade: purum
• Linear Formula: (CH3CH2CO)2O

DETAILS

MP Biomedicals - 05217159

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P51478

Packaging
1 kg in glass bottle
500 g in glass bottle

Sigma Aldrich - 240311

Packaging
50 g in glass bottle

Sigma Aldrich - 81942

Other Notes
Sales restrictions may apply