dipropyl carbonate

• ChemBase ID: 137721
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• SMILES: CCCOC(=O)OCCC
• Canonical SMILES: CCCOC(=O)OCCC
• InChI: InChI=1S/C7H14O3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3
• InChIKey: VUPKGFBOKBGHFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipropyl carbonate
• IUPAC Traditional name: carbonic acid, dipropyl ester
• Synonyms: Dipropyl carbonate; 碳酸二丙酯

Database IDs

• CAS Number: 623-96-1
• EC Number: 210-822-3
• MDL Number: MFCD00009369
• PubChem SID: 162231982; 24857747
• PubChem CID: 69344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3005002
• LogD (pH = 7.4): 2.3005002
• Log P: 2.3005002
• Molar Refractivity: 37.5816 cm^3
• Polarizability: 15.110173 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 167-168 °C(lit.)
• Flash Point: 131 °F; 55 °C
• Density: 0.944 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.401(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: 99%
• Linear Formula: (CH3CH2CH2O)2CO

DETAILS

Sigma Aldrich - 294934

Packaging
5, 25 g in glass bottle